C0L926_SCHMA Loading...

peptidylamidoglycolate lyase

AlphaFold DB , UniProt , Accession C0L926, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 412 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.2	Very low	33.8	Very low	245 Å²	245	165.9 Å²	165.9	100%	1.207	80%	0.803	S	S	*	*				0	135.3	0	-134.2	166.2	78.5	0	0	107
2	Y	35.4	Very low	33.6	Very low	229 Å²	229	162.3 Å²	162.3	90%	0.898	80%	0.798	S	S	*	*			trans	-55.2	147.9	-158.1	-90.1	-103.9	0	0	0	116.9
3	F	30.6	Very low	33.3	Very low	188 Å²	188	165.8 Å²	165.8	83%	0.825	80%	0.798	S	S	*	*			trans	-48.1	140.4	166	-92.4	-106.5	0	0	0	113.9
4	T	35.7	Very low	33.1	Very low	128 Å²	128	167.8 Å²	167.8	79%	0.785	80%	0.801	S	S	*	*			trans	-158.5	99.2	141.2	-15.9	0	0	0	0	109.1	I6	T4-I6 HydrophobicContact CG2-CG1 4.44Å
5	L	34.6	Very low	33.1	Very low	152 Å²	152	169.3 Å²	169.3	80%	0.796	80%	0.797	S	S	*	*			trans	-91.1	100.7	172.8	-131.9	94.5	0	0	0	107.3
6	I	36	Very low	33	Very low	131 Å²	131	168.3 Å²	168.3	67%	0.672	80%	0.796	S	S	*	*			trans	-93.9	108.5	174.6	-64.3	174	0	0	0	107.3	T4 N8	T4-I6 HydrophobicContact CG2-CG1 4.44Å; I6-N8 PolarHBondContact O-N 3.5Å
7	I	34.2	Very low	33	Very low	130 Å²	130	165.2 Å²	165.2	67%	0.667	79%	0.792	S	S	*	*			trans	-83.6	102.1	175.1	-62.9	171.9	0	0	0	107.3	F9	I7-F9 HydrophobicContact CG2-CD2 4.23Å; I7-F9 HydrophobicContact CG2-CE2 4.18Å
8	N	30.7	Very low	32.9	Very low	133 Å²	133	162.9 Å²	162.9	71%	0.711	79%	0.794	S	S	*	*			trans	-82.1	110.1	173.3	-95.6	-36	0	0	0	110	I6 L10	I6-N8 PolarHBondContact O-N 3.5Å; N8-L10 PolarHBondContact O-N 2.82Å
9	F	31.4	Very low	32.8	Very low	166 Å²	166	160.7 Å²	160.7	73%	0.728	79%	0.785	S	S	*	*			trans	-78.2	105.7	164.5	-90.2	-91.3	0	0	0	109.2	I7 F11	I7-F9 HydrophobicContact CG2-CD2 4.23Å; I7-F9 HydrophobicContact CG2-CE2 4.18Å; F9-F11 HydrophobicContact CD1-CD2 4.32Å; F9-F11 AromaticContact CD1-CE2 3.89Å; F9-F11 HydrophobicContact CD1-CE2 3.89Å; F9-F11 HydrophobicContact CE1-CE2 4.42Å
10	L	31.4	Very low	32.7	Very low	148 Å²	148	159.6 Å²	159.6	78%	0.775	79%	0.787	S	S	*	*			trans	-105.8	89.9	169.1	-81.6	162.3	0	0	0	108.9	N8 T12	N8-L10 PolarHBondContact O-N 2.82Å; L10-T12 PolarHBondContact O-N 3Å
11	F	33.4	Very low	32.6	Very low	175 Å²	175	160.4 Å²	160.4	77%	0.768	78%	0.783	S	S	*	*			trans	-71.1	101.7	163.7	-89.8	-89.5	0	0	0	108.3	F9 W13	F9-F11 HydrophobicContact CD1-CD2 4.32Å; F9-F11 AromaticContact CD1-CE2 3.89Å; F9-F11 HydrophobicContact CD1-CE2 3.89Å; F9-F11 HydrophobicContact CE1-CE2 4.42Å; F11-W13 PolarHBondContact O-N 2.93Å
12	T	31.6	Very low	32.1	Very low	122 Å²	122	155.8 Å²	155.8	75%	0.748	76%	0.763	S	S	*	*			trans	-88.5	103.2	173.7	44.3	0	0	0	0	109	L10 K14	L10-T12 PolarHBondContact O-N 3Å; T12-K14 PolarHBondContact O-N 3.02Å
13	W	29.6	Very low	31.8	Very low	209 Å²	209	153.8 Å²	153.8	79%	0.792	76%	0.759	S	S	*	*			trans	-68.6	108.7	165.8	-87.5	24.3	0	0	0	109.1	F11 Y15	F11-W13 PolarHBondContact O-N 2.93Å; W13-Y15 HydrophobicContact CE3-CE2 4.3Å; W13-Y15 PolarHBondContact O-N 3.01Å
14	K	30.9	Very low	31.5	Very low	193 Å²	193	152.6 Å²	152.6	84%	0.839	76%	0.757	S	S	*	*			trans	-81.1	95	175.1	-127.2	178.3	-178.7	-177.6	0	108.4	T12 I16	T12-K14 PolarHBondContact O-N 3.02Å; K14-I16 PolarHBondContact O-N 2.8Å
15	Y	33.3	Very low	31	Very low	190 Å²	190	158 Å²	158	75%	0.745	76%	0.763	S	S	*	*			trans	-65.9	111.6	164.8	-83.1	-93.7	0	0	0	108.5	W13	W13-Y15 HydrophobicContact CE3-CE2 4.3Å; W13-Y15 PolarHBondContact O-N 3.01Å
16	I	31.1	Very low	30.6	Very low	153 Å²	153	161 Å²	161	79%	0.785	77%	0.765	S	S	*	*			trans	-87.9	103.8	168.8	-65	173.8	0	0	0	106.2	K14 C18	K14-I16 PolarHBondContact O-N 2.8Å; I16-C18 PolarHBondContact O-N 3.37Å
17	T	32.8	Very low	30.3	Very low	117 Å²	117	160.8 Å²	160.8	72%	0.718	77%	0.772	S	S	*	*			trans	-69.4	118.8	172.2	46.9	0	0	0	0	109.4	I19	T17-I19 PolarHBondContact O-N 2.8Å
18	C	30.7	Very low	30.1	Very low	124 Å²	124	160.9 Å²	160.9	84%	0.838	77%	0.773	S	S	*	*			trans	-62.3	117.7	170.4	-74.1	0	0	0	0	109.8	I16	I16-C18 PolarHBondContact O-N 3.37Å
19	I	32.2	Very low	30	Very low	121 Å²	121	160 Å²	160	62%	0.621	78%	0.777	S	S	*	*			trans	-86.1	114	169.1	-64.1	174.8	0	0	0	106.5	T17 Y21	T17-I19 PolarHBondContact O-N 2.8Å; I19-Y21 HydrophobicContact CB-CD2 4.48Å; I19-Y21 HydrophobicContact CB-CE2 4.14Å; I19-Y21 HydrophobicContact CG2-CD2 3.89Å; I19-Y21 HydrophobicContact CG2-CE2 3.57Å; I19-Y21 PolarHBondContact O-N 3.06Å
20	V	29.9	Very low	30	Very low	137 Å²	137	158.9 Å²	158.9	83%	0.83	78%	0.779	S	S	*	*			trans	-72	109.2	172.1	177.1	0	0	0	0	107.4
21	Y	31.6	Very low	29.9	Very low	178 Å²	178	158.6 Å²	158.6	70%	0.698	78%	0.778	S	S	*	*			trans	-89.7	116.7	170.2	-81.9	-81.7	0	0	0	109.5	I19 F23	I19-Y21 HydrophobicContact CB-CD2 4.48Å; I19-Y21 HydrophobicContact CB-CE2 4.14Å; I19-Y21 HydrophobicContact CG2-CD2 3.89Å; I19-Y21 HydrophobicContact CG2-CE2 3.57Å; I19-Y21 PolarHBondContact O-N 3.06Å; Y21-F23 PolarHBondContact O-N 2.77Å
22	D	26.5	Very low	29.9	Very low	148 Å²	148	158.2 Å²	158.2	79%	0.791	78%	0.784	S	S	*	*			trans	-72.4	102.4	173.3	-166.6	12.4	0	0	0	108.7
23	F	29.9	Very low	29.9	Very low	186 Å²	186	160.8 Å²	160.8	82%	0.816	79%	0.793	S	S	*	*			trans	-99.9	111	179.1	-103	-89	0	0	0	111.2	Y21	Y21-F23 PolarHBondContact O-N 2.77Å
24	Q	24.8	Very low	29.9	Very low	164 Å²	164	159.3 Å²	159.3	77%	0.766	80%	0.795	S	S	*	*			trans	-78.1	145.9	173	-74.7	-175.8	-23	0	0	112.2
25	R	24.6	Very low	29.9	Very low	242 Å²	242	160.3 Å²	160.3	91%	0.913	80%	0.8	S	S	*	*			trans	-52.2	140	-179.6	-59.8	174.6	-174.8	179.7	-0.4	114.5
26	Y	25.8	Very low	29.7	Very low	213 Å²	213	159 Å²	159	84%	0.835	80%	0.801	S	S	*	*			trans	-132.3	137.2	151.7	-83.7	-84.9	0	0	0	110.5
27	P	30.1	Very low	29.9	Very low	127 Å²	127	157.9 Å²	157.9	83%	0.825	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-87.6	124.6	179.3	32.6	-27.7	0	0	0	110.4
28	L	29.8	Very low	30.1	Very low	133 Å²	133	161.3 Å²	161.3	70%	0.696	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-88.6	128.2	177.1	-75.1	163.6	0	0	0	110.7	Y412	L28-Y412 HydrophobicContact CD1-CD1 4.3Å
29	S	28.3	Very low	30.7	Very low	114 Å²	114	159.2 Å²	159.2	80%	0.797	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-86.7	147.9	170.8	52.9	0	0	0	0	110.9
30	N	31	Very low	31.4	Very low	142 Å²	142	158.4 Å²	158.4	76%	0.759	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-58.5	169.5	-176.7	-63.7	-23.5	0	0	0	116.1
31	D	30.5	Very low	32.2	Very low	142 Å²	142	160.2 Å²	160.2	76%	0.759	77%	0.772	S	S	*	*			trans	95.6	98.6	159.9	-54	-24.8	0	0	0	114.5
32	D	32.3	Very low	33.2	Very low	167 Å²	167	154.1 Å²	154.1	89%	0.893	75%	0.75	S	S	*	*				-173.2	121.2	114.1	-84.6	-28.2	0	0	0	110.4	E34	D32-E34 PolarHBondContact O-N 2.96Å
33	D	31.4	Very low	35	Very low	176 Å²	176	151.8 Å²	151.8	94%	0.941	74%	0.737	S	S	*	*			trans	-71	115	172.7	-78	-46	0	0	0	110
34	E	31.2	Very low	37.2	Very low	179 Å²	179	149.5 Å²	149.5	84%	0.836	73%	0.734	S	S	*	*			trans	-141.3	126.9	160.5	-154.3	169.5	-157.4	0	0	109.3	D32 Q36	D32-E34 PolarHBondContact O-N 2.96Å; E34-Q36 PolarHBondContact O-N 3.48Å
35	F	29.6	Very low	40	Very low	213 Å²	213	142 Å²	142	93%	0.934	70%	0.698	S	S	*	*			trans	-45.6	90.7	-178.2	-107	-107.1	0	0	0	111.8
36	Q	30.1	Very low	43.1	Very low	164 Å²	164	131.3 Å²	131.3	77%	0.766	66%	0.66	S	S	*	*			trans	-85.6	121	166.4	-67.1	-148.2	-14.8	0	0	107.7	E34 E38	E34-Q36 PolarHBondContact O-N 3.48Å; Q36-E38 PolarHBondContact O-N 3.22Å
37	N	34.5	Very low	46.1	Very low	128 Å²	128	122.3 Å²	122.3	68%	0.684	63%	0.625	S	S	*	*			trans	-38.1	111.7	164.9	-76.8	-9.3	0	0	0	108.2	L39	N37-L39 VanDerWaalsContact C-N 3.33Å; N37-L39 PolarHBondContact O-N 2.72Å
38	E	38.2	Very low	49	Very low	189 Å²	189	119 Å²	119	88%	0.883	60%	0.601	S	S	*	*			trans	-61.1	96.1	-174.6	-90.7	-174.7	138.8	0	0	108.7	Q36 I40	Q36-E38 PolarHBondContact O-N 3.22Å; E38-I40 PolarHBondContact O-N 3.19Å
39	L	42.4	Very low	52.1	Low	80 Å²	80	114.3 Å²	114.3	42%	0.419	58%	0.575	S	S	.	*			trans	-58.8	107.4	167.5	-81.1	129.9	0	0	0	107.4	N37 R41 L46 D48	N37-L39 VanDerWaalsContact C-N 3.33Å; N37-L39 PolarHBondContact O-N 2.72Å; L39-R41 PolarHBondContact O-N 3.31Å; L39-L46 HydrophobicContact CB-CD1 4.04Å; L39-L46 HydrophobicContact CB-CD2 4.1Å; L39-L46 HydrophobicContact CB-CG 4.45Å; L39-L46 HydrophobicContact CD1-CD1 4.44Å; L39-L46 HydrophobicContact CD2-CB 3.78Å; L39-L46 HydrophobicContact CD2-CD1 3.82Å; L39-L46 HydrophobicContact CD2-CG 4.3Å; L39-L46 HydrophobicContact CG-CD1 4.32Å; L39-D48 HydrophobicContact CD2-CB 4.44Å
40	I	47.4	Very low	55.1	Low	105 Å²	105	111.3 Å²	111.3	54%	0.538	55%	0.55	S	S	.	*			trans	-66.3	103.8	-179.5	-56.9	176.3	0	0	0	107.7	E38 Q42	E38-I40 PolarHBondContact O-N 3.19Å; I40-Q42 HydrophobicContact CG2-CG 3.96Å; I40-Q42 PolarHBondContact O-N 3.25Å; I40-Q42 VanDerWaalsContact O-N 3.17Å
41	R	47	Very low	57.9	Low	175 Å²	175	108.4 Å²	108.4	66%	0.66	53%	0.532	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.4	96.5	174.4	-157.9	-172.2	-67.9	-137.2	5.9	108.7	L39 L46	L39-R41 PolarHBondContact O-N 3.31Å; R41-L46 HydrophobicContact CB-CD2 3.76Å; R41-L46 HydrophobicContact CG-CD2 3.74Å
42	Q	52.3	Low	60.8	Low	49 Å²	49	106.3 Å²	106.3	23%	0.229	53%	0.529	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	107	169.7	-82.5	177.8	18	0	0	107.8	I40 E329	I40-Q42 HydrophobicContact CG2-CG 3.96Å; I40-Q42 PolarHBondContact O-N 3.25Å; I40-Q42 VanDerWaalsContact O-N 3.17Å; Q42-E329 PolarHBondContact OE1-O 3.35Å
43	N	63.1	Low	63.7	Low	99 Å²	99	99 Å²	99	53%	0.529	49%	0.489	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.8	-163.9	-175	-66.7	-36.7	0	0	0	112.3	F45 I327	N43-F45 HydrophobicContact CB-CE1 4.2Å; N43-F45 PolarHBondContact O-N 3.33Å; N43-I327 WeakPolarHBondContact ND2-CA 3.35Å; N43-I327 WeakPolarHBondContact ND2-CB 3.32Å; N43-I327 PolarHBondContact ND2-O 3.4Å
44	D	77.5	Confident	66.7	Low	138 Å²	138	91 Å²	91	74%	0.738	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	20.3	-167.5	-65.9	-38.8	0	0	0	115.2
45	F	83.9	Confident	69.6	Low	6 Å²	6	86.1 Å²	86.1	3%	0.026	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	155.4	178	53.7	-91	0	0	0	113.6	N43 I47 L300 I318 I327 L404 R405 F406	N43-F45 HydrophobicContact CB-CE1 4.2Å; N43-F45 PolarHBondContact O-N 3.33Å; F45-I47 HydrophobicContact CD2-CD1 4.43Å; F45-I47 HydrophobicContact CD2-CG1 3.99Å; F45-I47 HydrophobicContact CE2-CD1 4.03Å; F45-I47 HydrophobicContact CE2-CG1 4.11Å; F45-L300 HydrophobicContact CE1-CD1 4.19Å; F45-I318 HydrophobicContact CE2-CD1 3.67Å; F45-I318 HydrophobicContact CZ-CD1 3.93Å; F45-I318 HydrophobicContact CZ-CG2 4.08Å; F45-I327 HydrophobicContact CE1-CD1 3.84Å; F45-I327 HydrophobicContact CZ-CD1 4.22Å; F45-I327 HydrophobicContact CZ-CG1 4.48Å; F45-L404 HydrophobicContact CD2-CD2 4.13Å; F45-L404 HydrophobicContact CD2-CG 4.45Å; F45-L404 HydrophobicContact CE2-CD2 4.23Å; F45-R405 CarbonylContact C-O 3.56Å; F45-R405 WeakPolarHBondContact CA-O 3.48Å; F45-R405 VanDerWaalsContact CB-O 3.26Å; F45-R405 WeakPolarHBondContact CB-O 3.41Å; F45-F406 HydrophobicContact CB-CD1 3.68Å; F45-F406 HydrophobicContact CB-CE1 3.8Å; F45-F406 HydrophobicContact CB-CG 4.21Å; F45-F406 HydrophobicContact CB-CZ 4.43Å; F45-F406 HydrophobicContact CD1-CD1 4.1Å; F45-F406 AromaticContact CD1-CE1 3.69Å; F45-F406 HydrophobicContact CD1-CE1 3.69Å; F45-F406 HydrophobicContact CG-CD1 4.23Å; F45-F406 AromaticContact CG-CE1 3.89Å; F45-F406 HydrophobicContact CG-CE1 3.89Å
46	L	88	Confident	72.5	Confident	19 Å²	19	81.1 Å²	81.1	10%	0.099	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	144.6	170.2	-61.7	-179.4	0	0	0	110.1	L39 R41 L404 R405 F408	L39-L46 HydrophobicContact CB-CD1 4.04Å; L39-L46 HydrophobicContact CB-CD2 4.1Å; L39-L46 HydrophobicContact CB-CG 4.45Å; L39-L46 HydrophobicContact CD1-CD1 4.44Å; L39-L46 HydrophobicContact CD2-CB 3.78Å; L39-L46 HydrophobicContact CD2-CD1 3.82Å; L39-L46 HydrophobicContact CD2-CG 4.3Å; L39-L46 HydrophobicContact CG-CD1 4.32Å; R41-L46 HydrophobicContact CB-CD2 3.76Å; R41-L46 HydrophobicContact CG-CD2 3.74Å; L46-L404 VanDerWaalsContact O-CA 3.32Å; L46-L404 WeakPolarHBondContact O-CA 3.47Å; L46-R405 PolarHBondContact N-O 3.09Å; L46-R405 PolarHBondContact O-N 3.37Å; L46-F408 HydrophobicContact CB-CE2 4.05Å; L46-F408 HydrophobicContact CB-CZ 3.81Å; L46-F408 HydrophobicContact CD1-CD2 4.42Å; L46-F408 HydrophobicContact CD1-CE1 3.73Å; L46-F408 HydrophobicContact CD1-CE2 3.58Å; L46-F408 HydrophobicContact CD1-CZ 3.16Å; L46-F408 HydrophobicContact CG-CD2 4.43Å; L46-F408 HydrophobicContact CG-CE1 4.43Å; L46-F408 HydrophobicContact CG-CE2 3.41Å; L46-F408 VanDerWaalsContact CG-CE2 3.41Å; L46-F408 HydrophobicContact CG-CZ 3.41Å; L46-F408 VanDerWaalsContact CG-CZ 3.41Å
47	I	90.5	Very high	75.4	Confident	23 Å²	23	76.5 Å²	76.5	12%	0.118	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	125.7	179.9	-51.9	178.8	0	0	0	108.2	F45 I318 I330 Y402 H403 L404	F45-I47 HydrophobicContact CD2-CD1 4.43Å; F45-I47 HydrophobicContact CD2-CG1 3.99Å; F45-I47 HydrophobicContact CE2-CD1 4.03Å; F45-I47 HydrophobicContact CE2-CG1 4.11Å; I47-I318 HydrophobicContact CD1-CD1 3.93Å; I47-I330 HydrophobicContact CD1-CG1 4.1Å; I47-I330 HydrophobicContact CG2-CD1 4.5Å; I47-I330 HydrophobicContact CG2-CG1 4.23Å; I47-I330 HydrophobicContact CG2-CG2 4.46Å; I47-Y402 HydrophobicContact CG2-CD1 3.65Å; I47-Y402 HydrophobicContact CG2-CE1 4.38Å; I47-Y402 HydrophobicContact CG2-CG 4.38Å; I47-H403 WeakPolarHBondContact CA-O 3.38Å; I47-L404 HydrophobicContact CG1-CG 4.31Å
48	D	91.2	Very high	78.2	Confident	57 Å²	57	70.4 Å²	70.4	31%	0.305	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	125.5	-173.1	-177.5	27.3	0	0	0	110.1	L39 Y402 H403 R405	L39-D48 HydrophobicContact CD2-CB 4.44Å; D48-Y402 CarbonylContact O-C 3.48Å; D48-Y402 VanDerWaalsContact O-CA 3.27Å; D48-Y402 WeakPolarHBondContact O-CA 3.09Å; D48-H403 HydrophobicContact CB-CB 4.43Å; D48-H403 PolarHBondContact N-O 3.5Å; D48-H403 PolarHBondContact O-N 3.29Å; D48-R405 IonicContact OD2-CZ 3.92Å; D48-R405 IonicContact OD2-NH2 2.96Å; D48-R405 PolarHBondContact OD2-NH2 2.78Å
49	F	93.1	Very high	80.6	Confident	35 Å²	35	62.5 Å²	62.5	15%	0.154	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	129	-177.3	177.2	-138.1	0	0	0	111.1	E51 W400 Y402	F49-E51 HydrophobicContact CD1-CB 4.3Å; F49-E51 HydrophobicContact CD1-CG 3.33Å; F49-E51 HydrophobicContact CE1-CB 4.11Å; F49-E51 HydrophobicContact CE1-CG 3.44Å; F49-E51 VanDerWaalsContact CE1-CG 3.44Å; F49-E51 HydrophobicContact CG-CG 4.28Å; F49-E51 HydrophobicContact CZ-CG 4.44Å; F49-E51 PolarHBondContact O-N 3.32Å; F49-W400 AromaticContact CE2-CD1 3.88Å; F49-Y402 HydrophobicContact CB-CD1 3.89Å; F49-Y402 HydrophobicContact CB-CE1 3.54Å; F49-Y402 HydrophobicContact CD2-CD1 4.35Å; F49-Y402 HydrophobicContact CD2-CD2 4.23Å; F49-Y402 HydrophobicContact CD2-CE1 4.02Å; F49-Y402 AromaticContact CD2-CE2 3.85Å; F49-Y402 HydrophobicContact CD2-CE2 3.85Å; F49-Y402 HydrophobicContact CD2-CG 4.49Å; F49-Y402 AromaticContact CD2-CZ 3.74Å; F49-Y402 HydrophobicContact CE2-CE2 4.35Å; F49-Y402 AromaticContact CG-CE1 3.98Å; F49-Y402 HydrophobicContact CG-CE1 3.98Å; F49-Y402 AromaticContact CG-CZ 3.99Å
50	N	92.8	Very high	82.8	Confident	52 Å²	52	64 Å²	64	28%	0.278	33%	0.329	S	S	.	.			trans	-86.9	85.1	171.5	-168.5	-18.1	0	0	0	111	S52 W53 L401	N50-S52 VanDerWaalsContact C-N 3.27Å; N50-S52 PolarHBondContact O-N 2.94Å; N50-S52 PolarHBondContact OD1-N 3.43Å; N50-W53 HydrophobicContact CB-CB 4.17Å; N50-W53 VanDerWaalsContact CG-CB 3.49Å; N50-W53 PolarHBondContact O-N 3.01Å; N50-W53 PolarHBondContact OD1-N 3.45Å; N50-L401 HydrophobicContact CB-CB 4.33Å; N50-L401 HydrophobicContact CB-CD2 4.15Å; N50-L401 HydrophobicContact CB-CG 4.11Å; N50-L401 PolarHBondContact N-O 3.37Å
51	E	89.4	Confident	84.9	Confident	80 Å²	80	61.8 Å²	61.8	37%	0.374	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-35.7	-179.9	-70	173.1	-142	0	0	113.5	F49 W53 R397	F49-E51 HydrophobicContact CD1-CB 4.3Å; F49-E51 HydrophobicContact CD1-CG 3.33Å; F49-E51 HydrophobicContact CE1-CB 4.11Å; F49-E51 HydrophobicContact CE1-CG 3.44Å; F49-E51 VanDerWaalsContact CE1-CG 3.44Å; F49-E51 HydrophobicContact CG-CG 4.28Å; F49-E51 HydrophobicContact CZ-CG 4.44Å; F49-E51 PolarHBondContact O-N 3.32Å; E51-W53 PolarHBondContact O-N 3.31Å; E51-R397 PolarHBondContact O-NH2 2.92Å
52	S	90.2	Very high	87.1	Confident	99 Å²	99	54 Å²	54	69%	0.692	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-4.3	-176.1	-61.1	0	0	0	0	113.7	N50	N50-S52 VanDerWaalsContact C-N 3.27Å; N50-S52 PolarHBondContact O-N 2.94Å; N50-S52 PolarHBondContact OD1-N 3.43Å
53	W	93.7	Very high	88.9	Confident	14 Å²	14	52.3 Å²	52.3	5%	0.053	28%	0.281	C	S	.	.			trans	-109.9	140.7	-178.4	-175.6	99.4	0	0	0	111.8	N50 E51 I68 V78 L357 R397 L399 L401	N50-W53 HydrophobicContact CB-CB 4.17Å; N50-W53 VanDerWaalsContact CG-CB 3.49Å; N50-W53 PolarHBondContact O-N 3.01Å; N50-W53 PolarHBondContact OD1-N 3.45Å; E51-W53 PolarHBondContact O-N 3.31Å; W53-I68 HydrophobicContact CH2-CD1 3.98Å; W53-V78 HydrophobicContact CH2-CG1 4.29Å; W53-V78 HydrophobicContact CZ2-CB 4.1Å; W53-V78 HydrophobicContact CZ2-CG1 4.11Å; W53-V78 HydrophobicContact CZ2-CG2 3.88Å; W53-L357 HydrophobicContact CH2-CD2 3.64Å; W53-L357 HydrophobicContact CZ2-CD2 4.09Å; W53-L357 HydrophobicContact CZ3-CD2 4.07Å; W53-R397 PolarHBondContact O-NH1 2.85Å; W53-L399 HydrophobicContact CH2-CB 4.01Å; W53-L399 HydrophobicContact CH2-CD1 3.95Å; W53-L399 HydrophobicContact CZ3-CB 3.64Å; W53-L399 HydrophobicContact CZ3-CD1 4.37Å; W53-L401 HydrophobicContact CB-CD2 4.4Å; W53-L401 HydrophobicContact CD2-CB 4Å; W53-L401 HydrophobicContact CD2-CD2 3.88Å; W53-L401 HydrophobicContact CE3-CB 3.43Å; W53-L401 VanDerWaalsContact CE3-CB 3.43Å; W53-L401 HydrophobicContact CE3-CD2 4.2Å; W53-L401 HydrophobicContact CE3-CG 4.47Å; W53-L401 HydrophobicContact CG-CD2 3.95Å; W53-L401 HydrophobicContact CZ3-CB 3.79Å
54	P	94.9	Very high	90.3	Very high	8 Å²	8	48.1 Å²	48.1	5%	0.052	26%	0.259	C	S	.	.	S	Bend	cis	-74.2	178	-14.4	37.3	-39.6	0	0	0	111	V58 L399	P54-V58 HydrophobicContact CB-CB 3.9Å; P54-V58 HydrophobicContact CB-CG1 4.19Å; P54-V58 HydrophobicContact CB-CG2 3.83Å; P54-V58 HydrophobicContact CG-CB 4.11Å; P54-V58 HydrophobicContact CG-CG1 4.31Å; P54-L399 HydrophobicContact CG-CB 4.43Å; P54-L399 HydrophobicContact CG-CD1 4.14Å
55	L	92.9	Very high	91.2	Very high	76 Å²	76	41.5 Å²	41.5	40%	0.398	22%	0.223	S	C	.	.			trans	-67	146.4	168.2	-63	-166.6	0	0	0	110.4	S57 V58 G118 E119	L55-S57 PolarHBondContact O-N 3.24Å; L55-V58 VanDerWaalsContact O-CB 3.26Å; L55-V58 WeakPolarHBondContact O-CB 3.36Å; L55-V58 WeakPolarHBondContact O-CG2 3.26Å; L55-V58 PolarHBondContact O-N 3.32Å; L55-G118 WeakPolarHBondContact CB-O 3.44Å; L55-G118 PolarHBondContact N-O 3.03Å; L55-E119 HydrophobicContact CD1-CG 3.32Å; L55-E119 HydrophobicContact CG-CG 4.02Å
56	K	89.5	Confident	91.8	Very high	107 Å²	107	41.3 Å²	41.3	47%	0.465	22%	0.223	S	C	.	.	H	α-helix	trans	-53.4	-25.9	178.2	-176.3	163.3	-174.6	146.4	0	114.4	V58 D59 N60 E396	K56-V58 PolarHBondContact O-N 3.01Å; K56-D59 PolarHBondContact O-N 2.82Å; K56-N60 VanDerWaalsContact O-CG 3.25Å; K56-N60 PolarHBondContact O-N 2.97Å; K56-N60 VanDerWaalsContact O-N 3.14Å; K56-N60 PolarHBondContact O-ND2 3.38Å; K56-E396 WeakPolarHBondContact CE-OE2 3.27Å; K56-E396 IonicContact NZ-OE2 2.8Å; K56-E396 PolarHBondContact NZ-OE2 3.14Å
57	S	90.3	Very high	92.2	Very high	68 Å²	68	40.5 Å²	40.5	48%	0.476	22%	0.219	S	C	.	.	H	α-helix	trans	-62.9	-26.1	174.3	58.7	0	0	0	0	113.3	L55	L55-S57 PolarHBondContact O-N 3.24Å
58	V	93.9	Very high	92.6	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-70.1	-53.9	174.2	-175.5	0	0	0	0	110.4	P54 L55 K56 N60 Y61 L62 I115 G118 I120	P54-V58 HydrophobicContact CB-CB 3.9Å; P54-V58 HydrophobicContact CB-CG1 4.19Å; P54-V58 HydrophobicContact CB-CG2 3.83Å; P54-V58 HydrophobicContact CG-CB 4.11Å; P54-V58 HydrophobicContact CG-CG1 4.31Å; L55-V58 VanDerWaalsContact O-CB 3.26Å; L55-V58 WeakPolarHBondContact O-CB 3.36Å; L55-V58 WeakPolarHBondContact O-CG2 3.26Å; L55-V58 PolarHBondContact O-N 3.32Å; K56-V58 PolarHBondContact O-N 3.01Å; V58-N60 PolarHBondContact O-N 3.38Å; V58-Y61 WeakPolarHBondContact O-CB 3.41Å; V58-Y61 PolarHBondContact O-N 2.95Å; V58-L62 HydrophobicContact CG1-CD1 3.94Å; V58-L62 HydrophobicContact CG1-CG 4.3Å; V58-L62 WeakPolarHBondContact O-CG 3.27Å; V58-L62 PolarHBondContact O-N 2.79Å; V58-I115 HydrophobicContact CG1-CD1 3.52Å; V58-I115 HydrophobicContact CG1-CG1 3.94Å; V58-I115 HydrophobicContact CG2-CG2 4.47Å; V58-G118 WeakPolarHBondContact CG2-O 3.31Å; V58-I120 HydrophobicContact CB-CG1 4.41Å; V58-I120 HydrophobicContact CG1-CG1 4.34Å; V58-I120 HydrophobicContact CG2-CG1 4.02Å
59	D	88.3	Confident	92.9	Very high	23 Å²	23	38.3 Å²	38.3	12%	0.123	21%	0.206	C	C	.	.	H	α-helix	trans	-59	-38.7	-178.7	-60.9	-44.8	0	0	0	111.3	K56 Y61 L62	K56-D59 PolarHBondContact O-N 2.82Å; D59-Y61 PolarHBondContact O-N 2.88Å; D59-L62 PolarHBondContact O-N 2.85Å
60	N	88.6	Confident	93	Very high	112 Å²	112	37.4 Å²	37.4	60%	0.599	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-25.2	175.3	-71.5	-24.1	0	0	0	114.4	K56 V58	K56-N60 VanDerWaalsContact O-CG 3.25Å; K56-N60 PolarHBondContact O-N 2.97Å; K56-N60 VanDerWaalsContact O-N 3.14Å; K56-N60 PolarHBondContact O-ND2 3.38Å; V58-N60 PolarHBondContact O-N 3.38Å
61	Y	91.3	Very high	93.1	Very high	58 Å²	58	37.8 Å²	37.8	23%	0.227	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-38.8	179.2	178.9	-90.5	0	0	0	112	V58 D59 H82 K109 G110 V113 I120 T123	V58-Y61 WeakPolarHBondContact O-CB 3.41Å; V58-Y61 PolarHBondContact O-N 2.95Å; D59-Y61 PolarHBondContact O-N 2.88Å; Y61-H82 AromaticContact CE1-NE2 3.76Å; Y61-K109 PolarHBondContact O-NZ 2.96Å; Y61-G110 PolarHBondContact OH-N 3.09Å; Y61-G110 PolarHBondContact OH-O 2.89Å; Y61-V113 HydrophobicContact CD1-CG2 3.91Å; Y61-V113 HydrophobicContact CE1-CG2 3.58Å; Y61-I120 VanDerWaalsContact CB-CD1 3.42Å; Y61-I120 HydrophobicContact CD1-CD1 3.86Å; Y61-I120 HydrophobicContact CD2-CD1 4.27Å; Y61-I120 HydrophobicContact CG-CD1 3.57Å; Y61-T123 HydrophobicContact CE1-CG2 3.84Å; Y61-T123 HydrophobicContact CE2-CG2 4.4Å
62	L	93.1	Very high	93.3	Very high	12 Å²	12	35 Å²	35	6%	0.063	20%	0.196	C	C	.	.			trans	-63.3	141.6	-173.5	-68.2	175.2	0	0	0	111.2	V58 D59 V65 V80 H82 V113 L399	V58-L62 HydrophobicContact CG1-CD1 3.94Å; V58-L62 HydrophobicContact CG1-CG 4.3Å; V58-L62 WeakPolarHBondContact O-CG 3.27Å; V58-L62 PolarHBondContact O-N 2.79Å; D59-L62 PolarHBondContact O-N 2.85Å; L62-V65 HydrophobicContact CB-CG2 4.18Å; L62-V65 HydrophobicContact CD1-CG2 4.03Å; L62-V65 HydrophobicContact CG-CG2 4.49Å; L62-V80 HydrophobicContact CD1-CG1 4.27Å; L62-V80 HydrophobicContact CD2-CB 4.41Å; L62-V80 HydrophobicContact CD2-CG1 3.89Å; L62-H82 HydrophobicContact CD2-CB 4.3Å; L62-V113 HydrophobicContact CD2-CB 4.37Å; L62-V113 HydrophobicContact CD2-CG2 3.95Å; L62-L399 HydrophobicContact CD1-CD1 4.02Å; L62-L399 HydrophobicContact CD1-CD2 4.47Å; L62-L399 HydrophobicContact CD1-CG 4.26Å
63	G	91.2	Very high	93.2	Very high	12 Å²	12	33.8 Å²	33.8	12%	0.124	18%	0.18	C	C	.	.			trans	-94.6	-141.8	167.6	0	0	0	0	0	110.9	V65 H82 G84	G63-V65 PolarHBondContact O-N 3.5Å; G63-V65 VanDerWaalsContact O-N 3.08Å; G63-H82 PolarHBondContact N-ND1 2.99Å; G63-G84 VanDerWaalsContact CA-O 3.23Å; G63-G84 WeakPolarHBondContact CA-O 3.11Å
64	V	92.4	Very high	93.1	Very high	11 Å²	11	37.9 Å²	37.9	7%	0.067	20%	0.202	C	C	.	.	S	Bend	trans	-67.2	107.2	171.1	175.4	0	0	0	0	109.4	H82 R83 G84 V87 T361 L363	V64-H82 CarbonylContact O-C 3.56Å; V64-H82 VanDerWaalsContact O-CA 3.27Å; V64-H82 WeakPolarHBondContact O-CA 3.22Å; V64-H82 WeakPolarHBondContact O-CB 3.29Å; V64-R83 HydrophobicContact CB-CB 4.25Å; V64-R83 PolarHBondContact O-N 2.95Å; V64-G84 PolarHBondContact N-O 3.33Å; V64-V87 HydrophobicContact CG2-CG2 4.41Å; V64-T361 VanDerWaalsContact CA-O 3.28Å; V64-T361 WeakPolarHBondContact CA-O 3.37Å; V64-T361 WeakPolarHBondContact CG1-O 3.35Å; V64-L363 HydrophobicContact CG2-CD2 4.15Å; V64-L363 HydrophobicContact CG2-CG 4.39Å
65	V	95.8	Very high	93	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	139.6	-179.2	-176.6	0	0	0	0	109.9	L62 G63 V80 H82 C359 N360 H398 L399	L62-V65 HydrophobicContact CB-CG2 4.18Å; L62-V65 HydrophobicContact CD1-CG2 4.03Å; L62-V65 HydrophobicContact CG-CG2 4.49Å; G63-V65 PolarHBondContact O-N 3.5Å; G63-V65 VanDerWaalsContact O-N 3.08Å; V65-V80 HydrophobicContact CG1-CG1 3.54Å; V65-V80 HydrophobicContact CG2-CG1 4.28Å; V65-H82 HydrophobicContact CG2-CB 4.44Å; V65-C359 HydrophobicContact CB-CB 4.47Å; V65-C359 HydrophobicContact CG1-CB 3.76Å; V65-N360 WeakPolarHBondContact CB-O 3.43Å; V65-H398 HydrophobicContact CG2-CB 4.09Å; V65-L399 HydrophobicContact CG1-CD2 4.22Å
66	S	96.1	Very high	93.1	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.014	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	-32.3	-178.2	76.6	0	0	0	0	113.7	L81 P132 H133 H342	S66-L81 PolarHBondContact N-O 2.83Å; S66-L81 WeakPolarHBondContact OG-CG 3.41Å; S66-L81 PolarHBondContact OG-O 3.19Å; S66-P132 WeakPolarHBondContact CB-O 3.32Å; S66-P132 PolarHBondContact OG-O 2.8Å; S66-H133 CarbonylContact C-O 3.59Å; S66-H133 VanDerWaalsContact CB-O 3.28Å; S66-H133 WeakPolarHBondContact CB-O 3.4Å; S66-H133 PolarHBondContact OG-O 2.78Å; S66-H342 VanDerWaalsContact CA-CD2 3.49Å; S66-H342 WeakPolarHBondContact CA-CD2 3.35Å; S66-H342 PolarHBondContact O-CD2 3.08Å; S66-H342 PolarHBondContact O-NE2 2.58Å
67	S	98.1	Very high	93.5	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.014	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	160.3	178	-167.5	0	0	0	0	112.3	V80 L81 H133 S343	S67-V80 WeakPolarHBondContact O-CA 3.37Å; S67-L81 PolarHBondContact N-O 3.21Å; S67-L81 PolarHBondContact O-N 3.33Å; S67-H133 WeakPolarHBondContact CB-O 3.45Å; S67-S343 PolarHBondContact OG-OG 3.42Å; S67-S343 VanDerWaalsContact OG-OG 3.13Å
68	I	98.1	Very high	93.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	141.4	-179.7	-177.4	161.9	0	0	0	110.1	W53 V78 Y79 V80 A345 L357 C359 L399	W53-I68 HydrophobicContact CH2-CD1 3.98Å; I68-V78 HydrophobicContact CD1-CG1 3.8Å; I68-V78 HydrophobicContact CG1-CG1 3.67Å; I68-Y79 CarbonylContact C-O 3.56Å; I68-Y79 WeakPolarHBondContact CA-O 3.36Å; I68-V80 HydrophobicContact CD1-CG2 4.14Å; I68-V80 HydrophobicContact CG1-CG2 4.15Å; I68-A345 WeakPolarHBondContact O-CB 3.48Å; I68-L357 HydrophobicContact CD1-CB 3.87Å; I68-L357 HydrophobicContact CD1-CD2 3.99Å; I68-L357 HydrophobicContact CG1-CB 4.22Å; I68-C359 HydrophobicContact CG2-CB 4.36Å; I68-L399 HydrophobicContact CD1-CD1 4.43Å; I68-L399 HydrophobicContact CD1-CD2 4.06Å
69	K	97.4	Very high	94.1	Very high	34 Å²	34	29.1 Å²	29.1	15%	0.148	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	137.2	173.3	-68.4	-64.2	176.2	-175.2	0	111.1	V78 Y79 L135 I137 A345	K69-V78 CarbonylContact O-C 3.48Å; K69-V78 WeakPolarHBondContact O-CA 3.09Å; K69-Y79 PolarHBondContact N-O 2.85Å; K69-Y79 PolarHBondContact O-N 3.06Å; K69-L135 HydrophobicContact CB-CD2 4.36Å; K69-L135 WeakPolarHBondContact CE-O 3.31Å; K69-L135 HydrophobicContact CG-CD2 4.27Å; K69-L135 HydrophobicContact CG-CG 4.12Å; K69-L135 VanDerWaalsContact CG-O 3.3Å; K69-L135 WeakPolarHBondContact CG-O 3.21Å; K69-I137 HydrophobicContact CB-CD1 4.32Å; K69-A345 HydrophobicContact CD-CB 3.87Å
70	A	96.1	Very high	94.5	Very high	15 Å²	15	28 Å²	28	12%	0.124	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	150.7	166.8	0	0	0	0	0	110.8	A75 V78 L357	A70-A75 HydrophobicContact CB-CB 4.17Å; A70-V78 HydrophobicContact CB-CG2 4.15Å; A70-L357 HydrophobicContact CB-CD1 3.52Å
71	T	94.1	Very high	95	Very high	60 Å²	60	22.7 Å²	22.7	37%	0.368	12%	0.122	S	C	.	.	S	Bend	trans	-107.8	-4.9	176	54.5	0	0	0	0	114.2	N77 Y79 I137	T71-N77 PolarHBondContact N-O 3.22Å; T71-N77 WeakPolarHBondContact OG1-CB 3.23Å; T71-N77 PolarHBondContact OG1-ND2 3.17Å; T71-N77 PolarHBondContact OG1-O 3.39Å; T71-N77 VanDerWaalsContact OG1-O 3.1Å; T71-Y79 HydrophobicContact CG2-CD2 3.91Å; T71-Y79 HydrophobicContact CG2-CE2 3.76Å; T71-I137 HydrophobicContact CG2-CD1 3.35Å
72	D	92.5	Very high	95.3	Very high	21 Å²	21	19.9 Å²	19.9	11%	0.112	11%	0.111	C	C	.	.	S	Bend	trans	-142.9	161.9	-177	68	101.8	0	0	0	110.9	L74 A75 S76 N77	D72-L74 PolarHBondContact O-N 3.23Å; D72-L74 PolarHBondContact OD1-N 2.78Å; D72-A75 PolarHBondContact O-N 2.99Å; D72-A75 PolarHBondContact OD1-N 3Å; D72-S76 WeakPolarHBondContact OD1-CB 3.43Å; D72-S76 PolarHBondContact OD1-N 3.25Å; D72-S76 PolarHBondContact OD1-OG 3.15Å; D72-S76 PolarHBondContact OD2-N 3.33Å; D72-S76 PolarHBondContact OD2-OG 3.19Å; D72-N77 WeakPolarHBondContact OD2-CA 3.18Å; D72-N77 WeakPolarHBondContact OD2-CB 3.33Å; D72-N77 PolarHBondContact OD2-N 3.25Å
73	Q	89.8	Confident	95.3	Very high	74 Å²	74	19.8 Å²	19.8	35%	0.346	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-17.7	-172.4	67.2	-78.8	-2.7	0	0	115.3	P348 N350 C355	Q73-P348 WeakPolarHBondContact CA-O 3.33Å; Q73-P348 WeakPolarHBondContact CB-O 3.33Å; Q73-N350 HydrophobicContact CB-CB 3.64Å; Q73-N350 HydrophobicContact CG-CB 3.61Å; Q73-C355 PolarHBondContact O-SG 3.21Å
74	L	90	Very high	95.2	Very high	101 Å²	101	19.5 Å²	19.5	53%	0.529	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	6.6	179.7	-61.9	-178	0	0	0	112.4	D72 S76	D72-L74 PolarHBondContact O-N 3.23Å; D72-L74 PolarHBondContact OD1-N 2.78Å; L74-S76 PolarHBondContact O-N 2.78Å; L74-S76 VanDerWaalsContact O-N 3.1Å
75	A	94.3	Very high	94.9	Very high	2 Å²	2	25.4 Å²	25.4	2%	0.017	14%	0.138	C	C	.	.			trans	49.3	34.4	-169.3	0	0	0	0	0	113	A70 D72 N77 V78 L357 L401	A70-A75 HydrophobicContact CB-CB 4.17Å; D72-A75 PolarHBondContact O-N 2.99Å; D72-A75 PolarHBondContact OD1-N 3Å; A75-N77 VanDerWaalsContact C-N 3.25Å; A75-N77 PolarHBondContact O-N 3.21Å; A75-V78 HydrophobicContact CB-CG2 3.84Å; A75-V78 WeakPolarHBondContact O-CG2 3.49Å; A75-L357 HydrophobicContact CB-CD1 4.13Å; A75-L357 HydrophobicContact CB-CD2 3.94Å; A75-L357 HydrophobicContact CB-CG 4.45Å; A75-L401 HydrophobicContact CB-CD1 3.72Å; A75-L401 HydrophobicContact CB-CD2 3.91Å; A75-L401 HydrophobicContact CB-CG 4.49Å
76	S	94.9	Very high	94.6	Very high	31 Å²	31	26.8 Å²	26.8	22%	0.217	14%	0.144	C	C	.	.	S	Bend	trans	-70	-27	175.3	65	0	0	0	0	111.5	D72 L74 F116 N117	D72-S76 WeakPolarHBondContact OD1-CB 3.43Å; D72-S76 PolarHBondContact OD1-N 3.25Å; D72-S76 PolarHBondContact OD1-OG 3.15Å; D72-S76 PolarHBondContact OD2-N 3.33Å; D72-S76 PolarHBondContact OD2-OG 3.19Å; L74-S76 PolarHBondContact O-N 2.78Å; L74-S76 VanDerWaalsContact O-N 3.1Å; S76-F116 CarbonylContact O-C 3.49Å; S76-F116 WeakPolarHBondContact O-CA 3.34Å; S76-F116 WeakPolarHBondContact O-CD2 3.45Å; S76-N117 WeakPolarHBondContact CB-OD1 3.28Å; S76-N117 PolarHBondContact O-N 3.16Å
77	N	96.7	Very high	94.2	Very high	23 Å²	23	29.7 Å²	29.7	12%	0.123	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	108	175.8	-171.8	52.3	0	0	0	109.7	T71 D72 A75 Y79 Q114 I115 F116	T71-N77 PolarHBondContact N-O 3.22Å; T71-N77 WeakPolarHBondContact OG1-CB 3.23Å; T71-N77 PolarHBondContact OG1-ND2 3.17Å; T71-N77 PolarHBondContact OG1-O 3.39Å; T71-N77 VanDerWaalsContact OG1-O 3.1Å; D72-N77 WeakPolarHBondContact OD2-CA 3.18Å; D72-N77 WeakPolarHBondContact OD2-CB 3.33Å; D72-N77 PolarHBondContact OD2-N 3.25Å; A75-N77 VanDerWaalsContact C-N 3.25Å; A75-N77 PolarHBondContact O-N 3.21Å; N77-Y79 WeakPolarHBondContact ND2-CE2 3.44Å; N77-Q114 WeakPolarHBondContact OD1-CG 3.32Å; N77-Q114 PolarHBondContact OD1-NE2 2.95Å; N77-I115 WeakPolarHBondContact CA-O 3.43Å; N77-F116 HydrophobicContact CB-CD2 4.03Å; N77-F116 HydrophobicContact CB-CE2 4.43Å
78	V	98	Very high	93.8	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	141.9	-176.1	175.7	0	0	0	0	109.5	W53 I68 K69 A70 A75 V80 Q114 I115 L357	W53-V78 HydrophobicContact CH2-CG1 4.29Å; W53-V78 HydrophobicContact CZ2-CB 4.1Å; W53-V78 HydrophobicContact CZ2-CG1 4.11Å; W53-V78 HydrophobicContact CZ2-CG2 3.88Å; I68-V78 HydrophobicContact CD1-CG1 3.8Å; I68-V78 HydrophobicContact CG1-CG1 3.67Å; K69-V78 CarbonylContact O-C 3.48Å; K69-V78 WeakPolarHBondContact O-CA 3.09Å; A70-V78 HydrophobicContact CB-CG2 4.15Å; A75-V78 HydrophobicContact CB-CG2 3.84Å; A75-V78 WeakPolarHBondContact O-CG2 3.49Å; V78-V80 HydrophobicContact CG1-CG2 4.11Å; V78-Q114 CarbonylContact O-C 3.46Å; V78-Q114 WeakPolarHBondContact O-CA 3.26Å; V78-I115 HydrophobicContact CB-CB 4.39Å; V78-I115 PolarHBondContact N-O 3.19Å; V78-I115 PolarHBondContact O-N 3.28Å; V78-L357 HydrophobicContact CG1-CD2 4.34Å; V78-L357 HydrophobicContact CG2-CD2 3.89Å
79	Y	98.5	Very high	93.4	Very high	18 Å²	18	35.8 Å²	35.8	7%	0.071	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	129.3	172.8	-70.3	-93.2	0	0	0	109.9	I68 K69 T71 N77 L112 V113 Q114 Y124 I137 F143 L160	I68-Y79 CarbonylContact C-O 3.56Å; I68-Y79 WeakPolarHBondContact CA-O 3.36Å; K69-Y79 PolarHBondContact N-O 2.85Å; K69-Y79 PolarHBondContact O-N 3.06Å; T71-Y79 HydrophobicContact CG2-CD2 3.91Å; T71-Y79 HydrophobicContact CG2-CE2 3.76Å; N77-Y79 WeakPolarHBondContact ND2-CE2 3.44Å; Y79-L112 HydrophobicContact CD1-CD1 4.22Å; Y79-L112 HydrophobicContact CD1-CD2 4.11Å; Y79-L112 HydrophobicContact CD1-CG 4.08Å; Y79-V113 CarbonylContact C-O 3.48Å; Y79-V113 VanDerWaalsContact CA-O 3.31Å; Y79-V113 WeakPolarHBondContact CA-O 3.4Å; Y79-Q114 HydrophobicContact CD1-CB 4.02Å; Y79-Q114 HydrophobicContact CD1-CG 4.41Å; Y79-Q114 HydrophobicContact CE1-CB 3.66Å; Y79-Q114 HydrophobicContact CE1-CG 3.83Å; Y79-Q114 HydrophobicContact CE2-CG 4.44Å; Y79-Q114 PolarHBondContact OH-NE2 3.47Å; Y79-Y124 HydrophobicContact CE1-CE2 4.35Å; Y79-I137 HydrophobicContact CD2-CD1 3.89Å; Y79-I137 HydrophobicContact CE2-CD1 4.39Å; Y79-I137 HydrophobicContact CG-CD1 4.48Å; Y79-F143 AromaticContact CD1-CE1 3.68Å; Y79-F143 HydrophobicContact CD1-CE1 3.68Å; Y79-F143 HydrophobicContact CD1-CZ 4.16Å; Y79-F143 AromaticContact CD2-CE1 3.92Å; Y79-F143 HydrophobicContact CD2-CE1 3.92Å; Y79-F143 HydrophobicContact CD2-CZ 4.19Å; Y79-F143 AromaticContact CE1-CE1 3.78Å; Y79-F143 HydrophobicContact CE1-CE1 3.78Å; Y79-F143 AromaticContact CE1-CZ 3.77Å; Y79-F143 HydrophobicContact CE1-CZ 3.77Å; Y79-F143 HydrophobicContact CE2-CE1 4.01Å; Y79-F143 AromaticContact CE2-CZ 3.8Å; Y79-F143 HydrophobicContact CE2-CZ 3.8Å; Y79-F143 AromaticContact CG-CE1 3.75Å; Y79-F143 HydrophobicContact CG-CE1 3.75Å; Y79-F143 HydrophobicContact CG-CZ 4.35Å; Y79-F143 AromaticContact CZ-CE1 3.95Å; Y79-F143 AromaticContact CZ-CZ 3.58Å; Y79-L160 HydrophobicContact CE1-CD1 3.81Å
80	V	98.4	Very high	93	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	126.5	178.8	-179.3	0	0	0	0	108.9	L62 V65 S67 I68 V78 L112 V113 I115 L399	L62-V80 HydrophobicContact CD1-CG1 4.27Å; L62-V80 HydrophobicContact CD2-CB 4.41Å; L62-V80 HydrophobicContact CD2-CG1 3.89Å; V65-V80 HydrophobicContact CG1-CG1 3.54Å; V65-V80 HydrophobicContact CG2-CG1 4.28Å; S67-V80 WeakPolarHBondContact O-CA 3.37Å; I68-V80 HydrophobicContact CD1-CG2 4.14Å; I68-V80 HydrophobicContact CG1-CG2 4.15Å; V78-V80 HydrophobicContact CG1-CG2 4.11Å; V80-L112 WeakPolarHBondContact O-CA 3.47Å; V80-V113 PolarHBondContact N-O 2.99Å; V80-V113 PolarHBondContact O-N 3.41Å; V80-I115 HydrophobicContact CB-CD1 4.48Å; V80-I115 HydrophobicContact CG2-CD1 3.59Å; V80-L399 HydrophobicContact CG1-CD2 4.21Å; V80-L399 HydrophobicContact CG2-CD1 3.77Å; V80-L399 HydrophobicContact CG2-CD2 4.25Å
81	L	98.4	Very high	92.7	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	128.9	173.1	-169.6	64.8	0	0	0	108.5	S66 S67 V111 L112 P132 G134 L135 I145	S66-L81 PolarHBondContact N-O 2.83Å; S66-L81 WeakPolarHBondContact OG-CG 3.41Å; S66-L81 PolarHBondContact OG-O 3.19Å; S67-L81 PolarHBondContact N-O 3.21Å; S67-L81 PolarHBondContact O-N 3.33Å; L81-V111 CarbonylContact C-O 3.51Å; L81-V111 WeakPolarHBondContact CA-O 3.46Å; L81-V111 HydrophobicContact CD1-CB 4.43Å; L81-V111 HydrophobicContact CD1-CG2 4.24Å; L81-L112 HydrophobicContact CD1-CB 4.43Å; L81-L112 HydrophobicContact CD1-CD1 4.43Å; L81-P132 HydrophobicContact CD1-CB 3.81Å; L81-P132 HydrophobicContact CD1-CG 4.33Å; L81-P132 HydrophobicContact CD2-CB 3.88Å; L81-P132 HydrophobicContact CG-CB 3.84Å; L81-P132 HydrophobicContact CG-CG 4.39Å; L81-G134 VanDerWaalsContact CD2-O 3.25Å; L81-G134 WeakPolarHBondContact CD2-O 3.34Å; L81-L135 HydrophobicContact CB-CB 4.12Å; L81-L135 HydrophobicContact CB-CD2 4.22Å; L81-L135 HydrophobicContact CD2-CB 4.01Å; L81-I145 HydrophobicContact CD1-CD1 4.28Å; L81-I145 HydrophobicContact CD1-CG2 4.37Å; L81-I145 HydrophobicContact CD2-CG2 3.93Å
82	H	96.8	Very high	92.7	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	161.8	178	75.7	101.9	0	0	0	111.4	Y61 L62 G63 V64 V65 G84 G110 V111 P132	Y61-H82 AromaticContact CE1-NE2 3.76Å; L62-H82 HydrophobicContact CD2-CB 4.3Å; G63-H82 PolarHBondContact N-ND1 2.99Å; V64-H82 CarbonylContact O-C 3.56Å; V64-H82 VanDerWaalsContact O-CA 3.27Å; V64-H82 WeakPolarHBondContact O-CA 3.22Å; V64-H82 WeakPolarHBondContact O-CB 3.29Å; V65-H82 HydrophobicContact CG2-CB 4.44Å; H82-G84 WeakPolarHBondContact ND1-CA 3.35Å; H82-G84 PolarHBondContact ND1-N 3.3Å; H82-G110 PolarHBondContact NE2-O 3.1Å; H82-V111 PolarHBondContact CD2-O 3.5Å; H82-V111 PolarHBondContact N-O 3.34Å; H82-V111 VanDerWaalsContact O-CB 3.27Å; H82-V111 WeakPolarHBondContact O-CB 3.47Å; H82-P132 WeakPolarHBondContact O-CG 3.4Å
83	R	94.5	Very high	92.9	Very high	9 Å²	9	42.5 Å²	42.5	3%	0.034	22%	0.217	C	C	.	.			trans	-98.1	8.2	-174.5	-52.5	176.4	-177.5	147.5	10.4	112.4	V64 N85 R86 I107 P132 H133 H342	V64-R83 HydrophobicContact CB-CB 4.25Å; V64-R83 PolarHBondContact O-N 2.95Å; R83-N85 PolarHBondContact O-N 3.23Å; R83-R86 HydrophobicContact CB-CB 4.13Å; R83-R86 WeakPolarHBondContact CB-O 3.48Å; R83-R86 VanDerWaalsContact O-CB 3.3Å; R83-R86 WeakPolarHBondContact O-CB 3.11Å; R83-R86 PolarHBondContact O-N 3.17Å; R83-I107 HydrophobicContact CB-CD1 4.48Å; R83-I107 WeakPolarHBondContact O-CD1 3.11Å; R83-P132 HydrophobicContact CG-CG 4.21Å; R83-P132 PolarHBondContact NE-O 2.82Å; R83-H133 PolarHBondContact NH2-CD2 3.1Å; R83-H133 VanDerWaalsContact NH2-CD2 3.31Å; R83-H342 PolarHBondContact NH2-NE2 2.55Å
84	G	89.6	Confident	93.3	Very high	6 Å²	6	40.7 Å²	40.7	6%	0.062	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	-125.4	-174.8	0	0	0	0	0	111	G63 V64 H82 R86	G63-G84 VanDerWaalsContact CA-O 3.23Å; G63-G84 WeakPolarHBondContact CA-O 3.11Å; V64-G84 PolarHBondContact N-O 3.33Å; H82-G84 WeakPolarHBondContact ND1-CA 3.35Å; H82-G84 PolarHBondContact ND1-N 3.3Å; G84-R86 VanDerWaalsContact C-N 3.27Å; G84-R86 PolarHBondContact O-N 2.93Å
85	N	85.6	Confident	93.5	Very high	136 Å²	136	42.5 Å²	42.5	73%	0.727	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.9	7.5	177.6	67.8	-26.2	0	0	0	114.1	R83	R83-N85 PolarHBondContact O-N 3.23Å
86	R	89.4	Confident	93.6	Very high	29 Å²	29	48.3 Å²	48.3	11%	0.109	25%	0.246	C	C	.	.			trans	-86.7	118.5	179.2	-68.8	-73.2	172	79.7	-4.8	111	R83 G84 Y99 E105 I107 F130 L131	R83-R86 HydrophobicContact CB-CB 4.13Å; R83-R86 WeakPolarHBondContact CB-O 3.48Å; R83-R86 VanDerWaalsContact O-CB 3.3Å; R83-R86 WeakPolarHBondContact O-CB 3.11Å; R83-R86 PolarHBondContact O-N 3.17Å; G84-R86 VanDerWaalsContact C-N 3.27Å; G84-R86 PolarHBondContact O-N 2.93Å; R86-Y99 PolarHBondContact NH1-OH 2.89Å; R86-E105 PolarHBondContact NH1-O 2.71Å; R86-E105 PolarHBondContact NH2-O 3.32Å; R86-I107 HydrophobicContact CB-CD1 4.34Å; R86-I107 HydrophobicContact CB-CG1 4.44Å; R86-I107 HydrophobicContact CG-CD1 3.98Å; R86-I107 HydrophobicContact CG-CG1 3.59Å; R86-F130 PolarHBondContact NH1-O 3.1Å; R86-L131 HydrophobicContact CB-CD2 3.8Å
87	V	87.8	Confident	93.7	Very high	63 Å²	63	49 Å²	49	38%	0.382	25%	0.247	S	C	.	.			trans	-96.1	137.8	167.6	-179.5	0	0	0	0	108	V64 L363	V64-V87 HydrophobicContact CG2-CG2 4.41Å; V87-L363 HydrophobicContact CG1-CD2 3.99Å; V87-L363 HydrophobicContact CG2-CD2 4.26Å
88	W	89.2	Confident	93.7	Very high	56 Å²	56	50.4 Å²	50.4	21%	0.212	26%	0.255	C	S	.	.			trans	-98.3	110.6	170.8	179.5	4	0	0	0	108.3	T92 F93 L131 V148 K183 Y201	W88-T92 HydrophobicContact CG-CG2 4.47Å; W88-F93 AromaticContact CD1-CE2 3.93Å; W88-F93 HydrophobicContact CD2-CE2 4.37Å; W88-F93 AromaticContact CE2-CE2 3.71Å; W88-F93 HydrophobicContact CZ2-CE2 4.08Å; W88-F93 AromaticContact NE1-CD2 3.49Å; W88-F93 AromaticContact NE1-CE2 3.45Å; W88-L131 HydrophobicContact CB-CD1 4.43Å; W88-L131 HydrophobicContact CB-CD2 4.45Å; W88-L131 HydrophobicContact CG-CD1 4.35Å; W88-V148 HydrophobicContact CE3-CG1 4.25Å; W88-V148 HydrophobicContact CE3-CG2 4.32Å; W88-V148 HydrophobicContact CH2-CG1 3.37Å; W88-V148 HydrophobicContact CH2-CG2 4.45Å; W88-V148 HydrophobicContact CZ2-CG1 3.88Å; W88-V148 HydrophobicContact CZ3-CB 4.3Å; W88-V148 HydrophobicContact CZ3-CG1 3.59Å; W88-V148 HydrophobicContact CZ3-CG2 3.87Å; W88-K183 HydrophobicContact CH2-CD 4.35Å; W88-K183 HydrophobicContact CZ2-CD 4.01Å; W88-Y201 AromaticContact CH2-CD1 3.54Å; W88-Y201 HydrophobicContact CH2-CD1 3.54Å; W88-Y201 AromaticContact CH2-CD2 3.52Å; W88-Y201 HydrophobicContact CH2-CD2 3.52Å; W88-Y201 AromaticContact CH2-CE1 3.34Å; W88-Y201 HydrophobicContact CH2-CE1 3.34Å; W88-Y201 AromaticContact CH2-CE2 3.31Å; W88-Y201 HydrophobicContact CH2-CE2 3.31Å; W88-Y201 AromaticContact CH2-CG 3.63Å; W88-Y201 HydrophobicContact CH2-CG 3.63Å; W88-Y201 AromaticContact CH2-CZ 3.24Å; W88-Y201 HydrophobicContact CZ2-CD1 4.13Å; W88-Y201 HydrophobicContact CZ2-CE1 4.14Å; W88-Y201 HydrophobicContact CZ2-CG 4.37Å; W88-Y201 HydrophobicContact CZ3-CD1 4.44Å; W88-Y201 HydrophobicContact CZ3-CD2 4.13Å; W88-Y201 AromaticContact CZ3-CE1 3.83Å; W88-Y201 HydrophobicContact CZ3-CE1 3.83Å; W88-Y201 AromaticContact CZ3-CE2 3.45Å; W88-Y201 HydrophobicContact CZ3-CE2 3.45Å; W88-Y201 VanDerWaalsContact CZ3-CE2 3.45Å; W88-Y201 AromaticContact CZ3-CZ 3.3Å; W88-Y201 WeakPolarHBondContact CZ3-OH 3.19Å
89	D	89.7	Confident	93.7	Very high	73 Å²	73	50.7 Å²	50.7	39%	0.39	26%	0.256	S	S	.	.			trans	-129.8	-173.8	-177.9	65.9	12.3	0	0	0	112.4	N91 T92	D89-N91 PolarHBondContact O-N 2.71Å; D89-N91 WeakPolarHBondContact OD1-CA 3.13Å; D89-N91 WeakPolarHBondContact OD1-CB 3.19Å; D89-N91 PolarHBondContact OD1-N 2.8Å; D89-T92 PolarHBondContact N-OG1 2.95Å; D89-T92 VanDerWaalsContact O-CB 3.28Å; D89-T92 WeakPolarHBondContact O-CB 2.94Å; D89-T92 PolarHBondContact O-N 3.34Å; D89-T92 PolarHBondContact O-OG1 3.34Å; D89-T92 PolarHBondContact OD1-N 2.89Å; D89-T92 PolarHBondContact OD1-OG1 2.81Å
90	E	88.4	Confident	93.5	Very high	167 Å²	167	56 Å²	56	78%	0.78	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-20.1	176.4	64.8	-162.2	-152.8	0	0	114.9
91	N	91	Very high	93.1	Very high	90 Å²	90	59 Å²	59	48%	0.481	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-10.7	-179	-64.3	-58.2	0	0	0	112.7	D89 F93 R100	D89-N91 PolarHBondContact O-N 2.71Å; D89-N91 WeakPolarHBondContact OD1-CA 3.13Å; D89-N91 WeakPolarHBondContact OD1-CB 3.19Å; D89-N91 PolarHBondContact OD1-N 2.8Å; N91-F93 PolarHBondContact O-N 2.87Å; N91-R100 WeakPolarHBondContact O-CB 3.45Å; N91-R100 VanDerWaalsContact O-CD 3.28Å; N91-R100 WeakPolarHBondContact O-CD 3.4Å
92	T	94.4	Very high	92.6	Very high	1 Å²	1	62.7 Å²	62.7	1%	0.006	31%	0.312	C	S	.	.	S	Bend	trans	-70	-34.5	-172.7	-61.1	0	0	0	0	112.9	W88 D89 Y99 R100 L131	W88-T92 HydrophobicContact CG-CG2 4.47Å; D89-T92 PolarHBondContact N-OG1 2.95Å; D89-T92 VanDerWaalsContact O-CB 3.28Å; D89-T92 WeakPolarHBondContact O-CB 2.94Å; D89-T92 PolarHBondContact O-N 3.34Å; D89-T92 PolarHBondContact O-OG1 3.34Å; D89-T92 PolarHBondContact OD1-N 2.89Å; D89-T92 PolarHBondContact OD1-OG1 2.81Å; T92-Y99 HydrophobicContact CG2-CD2 4.05Å; T92-Y99 HydrophobicContact CG2-CE2 3.86Å; T92-R100 PolarHBondContact O-N 3.42Å; T92-L131 HydrophobicContact CG2-CD1 3.41Å; T92-L131 VanDerWaalsContact CG2-CD1 3.41Å
93	F	96.6	Very high	92.3	Very high	14 Å²	14	67 Å²	67	6%	0.061	33%	0.33	C	S	.	.	B	Isolated β-bridge	trans	-129.7	155.2	-178.5	-64.3	-85.5	0	0	0	111.6	W88 N91 N97 N98 Y99 R100 L131 V148 A149 H151 K183	W88-F93 AromaticContact CD1-CE2 3.93Å; W88-F93 HydrophobicContact CD2-CE2 4.37Å; W88-F93 AromaticContact CE2-CE2 3.71Å; W88-F93 HydrophobicContact CZ2-CE2 4.08Å; W88-F93 AromaticContact NE1-CD2 3.49Å; W88-F93 AromaticContact NE1-CE2 3.45Å; N91-F93 PolarHBondContact O-N 2.87Å; F93-N97 VanDerWaalsContact CD1-O 3.25Å; F93-N97 WeakPolarHBondContact CD1-O 3.25Å; F93-N98 CarbonylContact C-O 3.42Å; F93-N98 VanDerWaalsContact CA-O 3.29Å; F93-N98 WeakPolarHBondContact CA-O 3.23Å; F93-Y99 HydrophobicContact CD1-CD2 4.49Å; F93-Y99 HydrophobicContact CE1-CD2 4.02Å; F93-Y99 HydrophobicContact CZ-CD2 4.17Å; F93-R100 WeakPolarHBondContact O-CD 3.33Å; F93-R100 VanDerWaalsContact O-CZ 3.28Å; F93-R100 PolarHBondContact O-NE 3.49Å; F93-R100 PolarHBondContact O-NH1 2.89Å; F93-L131 HydrophobicContact CE2-CD1 3.86Å; F93-L131 HydrophobicContact CZ-CD1 3.93Å; F93-V148 HydrophobicContact CE2-CG1 4.34Å; F93-V148 HydrophobicContact CZ-CB 4.43Å; F93-V148 HydrophobicContact CZ-CG1 4.02Å; F93-A149 HydrophobicContact CZ-CB 4.32Å; F93-H151 AromaticContact CE1-CE1 3.82Å; F93-K183 VanDerWaalsContact CD1-CE 3.46Å; F93-K183 HydrophobicContact CE1-CD 4.47Å; F93-K183 HydrophobicContact CE2-CD 4.35Å; F93-K183 VanDerWaalsContact CG-CE 3.46Å; F93-K183 HydrophobicContact CZ-CD 4.28Å; F93-K183 HydrophobicContact CZ-CG 4.45Å
94	D	96.4	Very high	92.1	Very high	36 Å²	36	71.5 Å²	71.5	19%	0.193	36%	0.363	C	S	.	.			trans	-86.3	177.3	166.5	70.5	18	0	0	0	113.1	Q96 N97 N98 R100	D94-Q96 PolarHBondContact O-N 3.46Å; D94-Q96 VanDerWaalsContact O-N 3.16Å; D94-Q96 VanDerWaalsContact OD1-CA 3.27Å; D94-Q96 WeakPolarHBondContact OD1-CA 3.47Å; D94-Q96 WeakPolarHBondContact OD1-CB 3.4Å; D94-Q96 PolarHBondContact OD1-N 3.1Å; D94-N97 WeakPolarHBondContact O-CA 3.23Å; D94-N97 PolarHBondContact O-N 3.21Å; D94-N97 PolarHBondContact OD1-N 3.18Å; D94-N98 PolarHBondContact N-O 3.07Å; D94-N98 PolarHBondContact OD1-N 2.8Å; D94-N98 PolarHBondContact OD1-ND2 2.9Å; D94-N98 VanDerWaalsContact OD1-ND2 3.16Å; D94-N98 WeakPolarHBondContact OD2-CB 3.45Å; D94-N98 PolarHBondContact OD2-ND2 2.01Å; D94-R100 HydrophobicContact CB-CG 4.26Å; D94-R100 VanDerWaalsContact CB-NE 3.33Å
95	D	95.5	Very high	92.2	Very high	139 Å²	139	76 Å²	76	74%	0.743	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-16.7	-180	-56.2	-10	0	0	0	112.5	N97	D95-N97 VanDerWaalsContact C-N 3.35Å
96	Q	96.4	Very high	92.7	Very high	123 Å²	123	71 Å²	71	58%	0.575	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	11.9	173.8	-66.9	74.5	51.4	0	0	111.9	D94 N98 P174	D94-Q96 PolarHBondContact O-N 3.46Å; D94-Q96 VanDerWaalsContact O-N 3.16Å; D94-Q96 VanDerWaalsContact OD1-CA 3.27Å; D94-Q96 WeakPolarHBondContact OD1-CA 3.47Å; D94-Q96 WeakPolarHBondContact OD1-CB 3.4Å; D94-Q96 PolarHBondContact OD1-N 3.1Å; Q96-N98 WeakPolarHBondContact CB-ND2 3.4Å; Q96-N98 PolarHBondContact O-N 3.08Å; Q96-P174 WeakPolarHBondContact O-CG 3.37Å
97	N	96.9	Very high	93	Very high	45 Å²	45	69.7 Å²	69.7	24%	0.241	35%	0.352	C	S	.	.			trans	64.9	16.7	-179.5	-58.2	-78.7	0	0	0	114.9	F93 D94 D95 H151 P174 C182 K183	F93-N97 VanDerWaalsContact CD1-O 3.25Å; F93-N97 WeakPolarHBondContact CD1-O 3.25Å; D94-N97 WeakPolarHBondContact O-CA 3.23Å; D94-N97 PolarHBondContact O-N 3.21Å; D94-N97 PolarHBondContact OD1-N 3.18Å; D95-N97 VanDerWaalsContact C-N 3.35Å; N97-H151 PolarHBondContact O-CE1 2.89Å; N97-H151 PolarHBondContact O-NE2 2.86Å; N97-H151 VanDerWaalsContact O-NE2 3.12Å; N97-P174 HydrophobicContact CB-CB 4.01Å; N97-P174 HydrophobicContact CB-CG 4.11Å; N97-C182 VanDerWaalsContact CB-SG 3.56Å; N97-K183 PolarHBondContact OD1-NZ 2.84Å
98	N	97.4	Very high	93.3	Very high	54 Å²	54	73 Å²	73	29%	0.289	36%	0.364	S	S	.	.			trans	-76.8	134.5	174.2	-52.4	-71.4	0	0	0	110.2	F93 D94 Q96 R100	F93-N98 CarbonylContact C-O 3.42Å; F93-N98 VanDerWaalsContact CA-O 3.29Å; F93-N98 WeakPolarHBondContact CA-O 3.23Å; D94-N98 PolarHBondContact N-O 3.07Å; D94-N98 PolarHBondContact OD1-N 2.8Å; D94-N98 PolarHBondContact OD1-ND2 2.9Å; D94-N98 VanDerWaalsContact OD1-ND2 3.16Å; D94-N98 WeakPolarHBondContact OD2-CB 3.45Å; D94-N98 PolarHBondContact OD2-ND2 2.01Å; Q96-N98 WeakPolarHBondContact CB-ND2 3.4Å; Q96-N98 PolarHBondContact O-N 3.08Å; N98-R100 PolarHBondContact O-N 3.38Å
99	Y	96.4	Very high	93.5	Very high	5 Å²	5	74.9 Å²	74.9	2%	0.02	37%	0.373	C	S	.	.	B	Isolated β-bridge	trans	-63.2	124.1	174.7	-174.4	-109.2	0	0	0	111.4	R86 T92 F93 L101 K103 F130 L131 A149 F172	R86-Y99 PolarHBondContact NH1-OH 2.89Å; T92-Y99 HydrophobicContact CG2-CD2 4.05Å; T92-Y99 HydrophobicContact CG2-CE2 3.86Å; F93-Y99 HydrophobicContact CD1-CD2 4.49Å; F93-Y99 HydrophobicContact CE1-CD2 4.02Å; F93-Y99 HydrophobicContact CZ-CD2 4.17Å; Y99-L101 HydrophobicContact CE1-CB 3.74Å; Y99-L101 WeakPolarHBondContact CE1-O 3.43Å; Y99-L101 HydrophobicContact CE2-CB 4.21Å; Y99-L101 HydrophobicContact CE2-CD1 4.18Å; Y99-L101 HydrophobicContact CE2-CG 4.24Å; Y99-L101 WeakPolarHBondContact OH-CB 3.15Å; Y99-K103 HydrophobicContact CD1-CG 4Å; Y99-K103 WeakPolarHBondContact O-CE 3.35Å; Y99-F130 HydrophobicContact CD1-CD1 4.49Å; Y99-F130 AromaticContact CE1-CD1 3.64Å; Y99-F130 HydrophobicContact CE1-CD1 3.64Å; Y99-F130 HydrophobicContact CE1-CE1 4.32Å; Y99-F130 HydrophobicContact CE1-CG 4.5Å; Y99-F130 AromaticContact CZ-CD1 3.97Å; Y99-L131 HydrophobicContact CD2-CD1 4.39Å; Y99-L131 HydrophobicContact CE2-CD1 3.91Å; Y99-L131 HydrophobicContact CE2-CG 4.27Å; Y99-A149 HydrophobicContact CD1-CB 4.42Å; Y99-A149 HydrophobicContact CD2-CB 3.39Å; Y99-A149 HydrophobicContact CE2-CB 3.58Å; Y99-A149 HydrophobicContact CG-CB 3.82Å; Y99-F172 HydrophobicContact CD1-CD1 4.28Å; Y99-F172 AromaticContact CD1-CE1 3.93Å; Y99-F172 HydrophobicContact CD1-CE1 3.93Å; Y99-F172 HydrophobicContact CE1-CE1 4.46Å
100	R	94.7	Very high	93.8	Very high	131 Å²	131	71.6 Å²	71.6	49%	0.494	36%	0.357	S	S	.	.			trans	-91.6	-30.7	-173.7	-74.7	179.2	165.2	159.7	-0.7	114.3	N91 T92 F93 D94 N98	N91-R100 WeakPolarHBondContact O-CB 3.45Å; N91-R100 VanDerWaalsContact O-CD 3.28Å; N91-R100 WeakPolarHBondContact O-CD 3.4Å; T92-R100 PolarHBondContact O-N 3.42Å; F93-R100 WeakPolarHBondContact O-CD 3.33Å; F93-R100 VanDerWaalsContact O-CZ 3.28Å; F93-R100 PolarHBondContact O-NE 3.49Å; F93-R100 PolarHBondContact O-NH1 2.89Å; D94-R100 HydrophobicContact CB-CG 4.26Å; D94-R100 VanDerWaalsContact CB-NE 3.33Å; N98-R100 PolarHBondContact O-N 3.38Å
101	L	89.5	Confident	94.3	Very high	63 Å²	63	63.7 Å²	63.7	33%	0.33	32%	0.32	S	S	.	.	S	Bend	trans	-70.6	168.7	-176.3	-49.9	177.8	0	0	0	111.3	Y99 K103	Y99-L101 HydrophobicContact CE1-CB 3.74Å; Y99-L101 WeakPolarHBondContact CE1-O 3.43Å; Y99-L101 HydrophobicContact CE2-CB 4.21Å; Y99-L101 HydrophobicContact CE2-CD1 4.18Å; Y99-L101 HydrophobicContact CE2-CG 4.24Å; Y99-L101 WeakPolarHBondContact OH-CB 3.15Å; L101-K103 PolarHBondContact O-N 3.36Å
102	N	88.5	Confident	94.6	Very high	77 Å²	77	59.4 Å²	59.4	41%	0.412	30%	0.297	S	S	.	.			trans	-57.3	107.3	-174.9	-171.9	-3.8	0	0	0	112.1	S104 E105	N102-S104 PolarHBondContact O-N 3.43Å; N102-S104 VanDerWaalsContact OD1-CB 3.32Å; N102-S104 WeakPolarHBondContact OD1-CB 3.39Å; N102-S104 PolarHBondContact OD1-N 2.77Å; N102-E105 HydrophobicContact CB-CB 4.35Å; N102-E105 HydrophobicContact CB-CG 4.47Å; N102-E105 PolarHBondContact ND2-OE1 3.22Å; N102-E105 PolarHBondContact O-N 3.32Å; N102-E105 VanDerWaalsContact O-N 3.15Å
103	K	89.6	Confident	94.8	Very high	90 Å²	90	59.3 Å²	59.3	39%	0.391	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-12	179.2	-66.9	-178.9	-177.8	-179.9	0	113.6	Y99 L101 F130 F172	Y99-K103 HydrophobicContact CD1-CG 4Å; Y99-K103 WeakPolarHBondContact O-CE 3.35Å; L101-K103 PolarHBondContact O-N 3.36Å; K103-F130 WeakPolarHBondContact O-CZ 3.09Å; K103-F172 HydrophobicContact CB-CE1 4.4Å; K103-F172 HydrophobicContact CB-CE2 4.01Å; K103-F172 HydrophobicContact CB-CZ 3.92Å; K103-F172 HydrophobicContact CD-CB 4.33Å; K103-F172 HydrophobicContact CD-CD1 4.11Å; K103-F172 HydrophobicContact CD-CD2 4.03Å; K103-F172 HydrophobicContact CD-CE1 4.37Å; K103-F172 HydrophobicContact CD-CE2 4.3Å; K103-F172 HydrophobicContact CD-CG 3.94Å; K103-F172 HydrophobicContact CD-CZ 4.46Å; K103-F172 HydrophobicContact CG-CD1 4.16Å; K103-F172 HydrophobicContact CG-CD2 4.4Å; K103-F172 HydrophobicContact CG-CE1 3.93Å; K103-F172 HydrophobicContact CG-CE2 4.19Å; K103-F172 HydrophobicContact CG-CG 4.39Å; K103-F172 HydrophobicContact CG-CZ 3.95Å
104	S	90.4	Very high	94.9	Very high	103 Å²	103	59.3 Å²	59.3	72%	0.72	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-6	175.1	-56.2	0	0	0	0	113.1	N102 P106	N102-S104 PolarHBondContact O-N 3.43Å; N102-S104 VanDerWaalsContact OD1-CB 3.32Å; N102-S104 WeakPolarHBondContact OD1-CB 3.39Å; N102-S104 PolarHBondContact OD1-N 2.77Å; S104-P106 WeakPolarHBondContact O-CD 3.11Å
105	E	92.5	Very high	95	Very high	102 Å²	102	57.6 Å²	57.6	48%	0.477	29%	0.287	S	S	.	.			trans	-118.8	89	-177.7	-73.2	174.2	-160.5	0	0	110.5	R86 N102 F130	R86-E105 PolarHBondContact NH1-O 2.71Å; R86-E105 PolarHBondContact NH2-O 3.32Å; N102-E105 HydrophobicContact CB-CB 4.35Å; N102-E105 HydrophobicContact CB-CG 4.47Å; N102-E105 PolarHBondContact ND2-OE1 3.22Å; N102-E105 PolarHBondContact O-N 3.32Å; N102-E105 VanDerWaalsContact O-N 3.15Å; E105-F130 WeakPolarHBondContact O-CE1 3.49Å
106	P	95.8	Very high	95.1	Very high	29 Å²	29	54.8 Å²	54.8	19%	0.188	27%	0.269	C	S	.	.			trans	-67.4	164	166.1	28	-33	0	0	0	111.2	S104 Q108 F127 F130	S104-P106 WeakPolarHBondContact O-CD 3.11Å; P106-Q108 PolarHBondContact O-N 3.13Å; P106-F127 VanDerWaalsContact CB-C 3.43Å; P106-F127 WeakPolarHBondContact CB-O 3.28Å; P106-F127 HydrophobicContact CG-CB 3.97Å; P106-F127 WeakPolarHBondContact CG-O 3.32Å; P106-F130 HydrophobicContact CB-CD2 4.26Å; P106-F130 HydrophobicContact CB-CE2 3.64Å; P106-F130 HydrophobicContact CB-CZ 3.81Å; P106-F130 HydrophobicContact CG-CZ 4.42Å
107	I	95.1	Very high	95	Very high	2 Å²	2	54 Å²	54	1%	0.01	27%	0.268	C	S	.	.			trans	-59.8	123.6	173.2	-63.4	161.8	0	0	0	108.8	R83 R86 K109 V111 F127 F129 F130 P132	R83-I107 HydrophobicContact CB-CD1 4.48Å; R83-I107 WeakPolarHBondContact O-CD1 3.11Å; R86-I107 HydrophobicContact CB-CD1 4.34Å; R86-I107 HydrophobicContact CB-CG1 4.44Å; R86-I107 HydrophobicContact CG-CD1 3.98Å; R86-I107 HydrophobicContact CG-CG1 3.59Å; I107-K109 HydrophobicContact CG2-CB 4.29Å; I107-V111 HydrophobicContact CB-CG1 3.94Å; I107-V111 HydrophobicContact CD1-CG1 3.89Å; I107-V111 HydrophobicContact CG2-CG1 3.66Å; I107-F127 VanDerWaalsContact O-CA 3.29Å; I107-F127 WeakPolarHBondContact O-CA 3.44Å; I107-F127 PolarHBondContact O-N 2.68Å; I107-F129 PolarHBondContact N-O 3.43Å; I107-F130 WeakPolarHBondContact CD1-O 3.46Å; I107-P132 HydrophobicContact CD1-CG 4.32Å
108	Q	94.3	Very high	95	Very high	133 Å²	133	51.9 Å²	51.9	62%	0.621	26%	0.258	S	S	*	.			trans	-79.5	-30.9	-175.9	-54.1	-169.5	2.9	0	0	113	P106 P126 F127	P106-Q108 PolarHBondContact O-N 3.13Å; Q108-P126 WeakPolarHBondContact O-CB 3.47Å; Q108-F127 HydrophobicContact CB-CD1 4.03Å; Q108-F127 HydrophobicContact CB-CE1 3.46Å; Q108-F127 VanDerWaalsContact CB-CE1 3.46Å; Q108-F127 HydrophobicContact CB-CZ 3.99Å; Q108-F127 HydrophobicContact CG-CD1 3.93Å; Q108-F127 HydrophobicContact CG-CE1 3.47Å; Q108-F127 VanDerWaalsContact CG-CE1 3.47Å; Q108-F127 HydrophobicContact CG-CZ 4.42Å
109	K	94.1	Very high	95	Very high	95 Å²	95	54.8 Å²	54.8	41%	0.413	27%	0.269	S	S	.	.	S	Bend	trans	-67.8	152.6	175.5	-77.2	-170	170.2	-171.5	0	110.7	Y61 I107 V111	Y61-K109 PolarHBondContact O-NZ 2.96Å; I107-K109 HydrophobicContact CG2-CB 4.29Å; K109-V111 PolarHBondContact O-N 2.56Å
110	G	96.8	Very high	95	Very high	5 Å²	5	57 Å²	57	5%	0.052	28%	0.281	C	S	.	.			trans	-66.4	114.2	167.5	0	0	0	0	0	110.1	Y61 H82 Y124	Y61-G110 PolarHBondContact OH-N 3.09Å; Y61-G110 PolarHBondContact OH-O 2.89Å; H82-G110 PolarHBondContact NE2-O 3.1Å; G110-Y124 CarbonylContact C-O 3.59Å; G110-Y124 VanDerWaalsContact C-O 3.27Å; G110-Y124 WeakPolarHBondContact CA-O 3.4Å
111	V	97.6	Very high	95.2	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.284	C	S	.	.	S	Bend	trans	-81.1	-22.8	-173	-64.6	0	0	0	0	113.8	L81 H82 I107 K109 Y124 F125 F129 P132	L81-V111 CarbonylContact C-O 3.51Å; L81-V111 WeakPolarHBondContact CA-O 3.46Å; L81-V111 HydrophobicContact CD1-CB 4.43Å; L81-V111 HydrophobicContact CD1-CG2 4.24Å; H82-V111 PolarHBondContact CD2-O 3.5Å; H82-V111 PolarHBondContact N-O 3.34Å; H82-V111 VanDerWaalsContact O-CB 3.27Å; H82-V111 WeakPolarHBondContact O-CB 3.47Å; I107-V111 HydrophobicContact CB-CG1 3.94Å; I107-V111 HydrophobicContact CD1-CG1 3.89Å; I107-V111 HydrophobicContact CG2-CG1 3.66Å; K109-V111 PolarHBondContact O-N 2.56Å; V111-Y124 PolarHBondContact N-O 2.77Å; V111-F125 HydrophobicContact CG2-CB 4Å; V111-F129 HydrophobicContact CG1-CB 4.48Å; V111-F129 HydrophobicContact CG2-CB 4.2Å; V111-F129 HydrophobicContact CG2-CD2 3.46Å; V111-F129 VanDerWaalsContact CG2-CD2 3.46Å; V111-F129 HydrophobicContact CG2-CE2 4.19Å; V111-F129 HydrophobicContact CG2-CG 4.15Å; V111-P132 HydrophobicContact CB-CG 4.14Å; V111-P132 HydrophobicContact CG1-CG 4.22Å; V111-P132 HydrophobicContact CG2-CG 4.5Å
112	L	98.6	Very high	95.5	Very high	0 Å²	0	61 Å²	61	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	118.8	173.7	-178.9	71.8	0	0	0	108.3	Y79 V80 L81 T123 Y124 F125 L135 F143 L160	Y79-L112 HydrophobicContact CD1-CD1 4.22Å; Y79-L112 HydrophobicContact CD1-CD2 4.11Å; Y79-L112 HydrophobicContact CD1-CG 4.08Å; V80-L112 WeakPolarHBondContact O-CA 3.47Å; L81-L112 HydrophobicContact CD1-CB 4.43Å; L81-L112 HydrophobicContact CD1-CD1 4.43Å; L112-T123 CarbonylContact O-C 3.5Å; L112-T123 VanDerWaalsContact O-CA 3.32Å; L112-T123 WeakPolarHBondContact O-CA 3.35Å; L112-Y124 HydrophobicContact CD2-CD2 4.44Å; L112-Y124 PolarHBondContact N-O 3.35Å; L112-Y124 PolarHBondContact O-N 3.2Å; L112-F125 HydrophobicContact CB-CD2 3.99Å; L112-F125 HydrophobicContact CB-CE2 4.38Å; L112-F125 HydrophobicContact CD2-CD2 4.23Å; L112-F125 HydrophobicContact CD2-CE2 3.76Å; L112-L135 HydrophobicContact CD1-CD1 3.82Å; L112-L135 HydrophobicContact CD1-CD2 3.72Å; L112-L135 HydrophobicContact CD1-CG 4.44Å; L112-F143 HydrophobicContact CD2-CD1 4.06Å; L112-F143 HydrophobicContact CD2-CE1 4.31Å; L112-L160 HydrophobicContact CD2-CD1 3.98Å; L112-L160 HydrophobicContact CD2-CD2 3.61Å; L112-L160 HydrophobicContact CD2-CG 4.47Å
113	V	98.3	Very high	96	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	121.8	-177.6	-176.9	0	0	0	0	108.6	Y61 L62 Y79 V80 I115 I120 T123	Y61-V113 HydrophobicContact CD1-CG2 3.91Å; Y61-V113 HydrophobicContact CE1-CG2 3.58Å; L62-V113 HydrophobicContact CD2-CB 4.37Å; L62-V113 HydrophobicContact CD2-CG2 3.95Å; Y79-V113 CarbonylContact C-O 3.48Å; Y79-V113 VanDerWaalsContact CA-O 3.31Å; Y79-V113 WeakPolarHBondContact CA-O 3.4Å; V80-V113 PolarHBondContact N-O 2.99Å; V80-V113 PolarHBondContact O-N 3.41Å; V113-I115 HydrophobicContact CG1-CG1 4.14Å; V113-I120 HydrophobicContact CG1-CD1 4.18Å; V113-I120 HydrophobicContact CG1-CG1 3.89Å; V113-I120 HydrophobicContact CG1-CG2 4.09Å; V113-T123 HydrophobicContact CG1-CG2 4.44Å; V113-T123 HydrophobicContact CG2-CG2 4.23Å
114	Q	98.3	Very high	96.4	Very high	13 Å²	13	56.6 Å²	56.6	6%	0.061	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	118.9	168.4	-178	-178.3	20.1	0	0	108.7	N77 V78 Y79 K121 R122 Y124	N77-Q114 WeakPolarHBondContact OD1-CG 3.32Å; N77-Q114 PolarHBondContact OD1-NE2 2.95Å; V78-Q114 CarbonylContact O-C 3.46Å; V78-Q114 WeakPolarHBondContact O-CA 3.26Å; Y79-Q114 HydrophobicContact CD1-CB 4.02Å; Y79-Q114 HydrophobicContact CD1-CG 4.41Å; Y79-Q114 HydrophobicContact CE1-CB 3.66Å; Y79-Q114 HydrophobicContact CE1-CG 3.83Å; Y79-Q114 HydrophobicContact CE2-CG 4.44Å; Y79-Q114 PolarHBondContact OH-NE2 3.47Å; Q114-K121 HydrophobicContact CG-CB 4.3Å; Q114-K121 PolarHBondContact O-N 2.78Å; Q114-R122 PolarHBondContact N-O 3.17Å; Q114-R122 PolarHBondContact O-N 2.89Å; Q114-Y124 HydrophobicContact CB-CE2 3.94Å; Q114-Y124 PolarHBondContact OE1-OH 3.3Å; Q114-Y124 VanDerWaalsContact OE1-OH 3.07Å
115	I	98.2	Very high	96.8	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	124.2	173.9	-57.7	165.9	0	0	0	107.2	V58 N77 V78 V80 V113 G118 E119 L399	V58-I115 HydrophobicContact CG1-CD1 3.52Å; V58-I115 HydrophobicContact CG1-CG1 3.94Å; V58-I115 HydrophobicContact CG2-CG2 4.47Å; N77-I115 WeakPolarHBondContact CA-O 3.43Å; V78-I115 HydrophobicContact CB-CB 4.39Å; V78-I115 PolarHBondContact N-O 3.19Å; V78-I115 PolarHBondContact O-N 3.28Å; V80-I115 HydrophobicContact CB-CD1 4.48Å; V80-I115 HydrophobicContact CG2-CD1 3.59Å; V113-I115 HydrophobicContact CG1-CG1 4.14Å; I115-G118 VanDerWaalsContact CG2-C 3.49Å; I115-E119 CarbonylContact C-O 3.57Å; I115-E119 VanDerWaalsContact CA-O 3.23Å; I115-E119 WeakPolarHBondContact CA-O 3.46Å; I115-L399 HydrophobicContact CD1-CD1 3.8Å
116	F	97.4	Very high	96.9	Very high	81 Å²	81	50.3 Å²	50.3	36%	0.355	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	121.8	174.4	-170.1	-101.4	0	0	0	109.7	S76 N77 G118 E119 K121	S76-F116 CarbonylContact O-C 3.49Å; S76-F116 WeakPolarHBondContact O-CA 3.34Å; S76-F116 WeakPolarHBondContact O-CD2 3.45Å; N77-F116 HydrophobicContact CB-CD2 4.03Å; N77-F116 HydrophobicContact CB-CE2 4.43Å; F116-G118 PolarHBondContact O-N 2.67Å; F116-E119 PolarHBondContact N-O 2.73Å; F116-E119 PolarHBondContact O-N 2.84Å; F116-K121 HydrophobicContact CB-CB 3.92Å; F116-K121 HydrophobicContact CB-CD 3.73Å; F116-K121 HydrophobicContact CB-CG 4.44Å; F116-K121 HydrophobicContact CG-CD 4.17Å
117	N	95.2	Very high	96.9	Very high	105 Å²	105	55 Å²	55	56%	0.561	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.7	41.6	-174.5	-65.8	-21.3	0	0	0	113.3	S76 E119	S76-N117 WeakPolarHBondContact CB-OD1 3.28Å; S76-N117 PolarHBondContact O-N 3.16Å; N117-E119 VanDerWaalsContact C-N 3.31Å; N117-E119 PolarHBondContact O-N 3.09Å
118	G	95.6	Very high	97	Very high	2 Å²	2	57 Å²	57	2%	0.021	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.6	-0.4	179.5	0	0	0	0	0	115.3	L55 V58 I115 F116	L55-G118 WeakPolarHBondContact CB-O 3.44Å; L55-G118 PolarHBondContact N-O 3.03Å; V58-G118 WeakPolarHBondContact CG2-O 3.31Å; I115-G118 VanDerWaalsContact CG2-C 3.49Å; F116-G118 PolarHBondContact O-N 2.67Å
119	E	97.3	Very high	97.2	Very high	114 Å²	114	50.6 Å²	50.6	53%	0.533	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	145.7	178.9	-73.7	-176.6	-117.7	0	0	112.7	L55 I115 F116 N117 K121	L55-E119 HydrophobicContact CD1-CG 3.32Å; L55-E119 HydrophobicContact CG-CG 4.02Å; I115-E119 CarbonylContact C-O 3.57Å; I115-E119 VanDerWaalsContact CA-O 3.23Å; I115-E119 WeakPolarHBondContact CA-O 3.46Å; F116-E119 PolarHBondContact N-O 2.73Å; F116-E119 PolarHBondContact O-N 2.84Å; N117-E119 VanDerWaalsContact C-N 3.31Å; N117-E119 PolarHBondContact O-N 3.09Å; E119-K121 PolarHBondContact O-N 2.88Å
120	I	97.7	Very high	97.3	Very high	53 Å²	53	46.1 Å²	46.1	27%	0.272	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	114.1	171.7	-63.1	178.3	0	0	0	109.2	V58 Y61 V113 T123	V58-I120 HydrophobicContact CB-CG1 4.41Å; V58-I120 HydrophobicContact CG1-CG1 4.34Å; V58-I120 HydrophobicContact CG2-CG1 4.02Å; Y61-I120 VanDerWaalsContact CB-CD1 3.42Å; Y61-I120 HydrophobicContact CD1-CD1 3.86Å; Y61-I120 HydrophobicContact CD2-CD1 4.27Å; Y61-I120 HydrophobicContact CG-CD1 3.57Å; V113-I120 HydrophobicContact CG1-CD1 4.18Å; V113-I120 HydrophobicContact CG1-CG1 3.89Å; V113-I120 HydrophobicContact CG1-CG2 4.09Å; I120-T123 HydrophobicContact CG2-CG2 4.07Å
121	K	97.7	Very high	97.3	Very high	125 Å²	125	45.9 Å²	45.9	54%	0.543	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	-45.3	173.5	-179.5	170.3	176.9	176.2	0	111.7	Q114 F116 E119	Q114-K121 HydrophobicContact CG-CB 4.3Å; Q114-K121 PolarHBondContact O-N 2.78Å; F116-K121 HydrophobicContact CB-CB 3.92Å; F116-K121 HydrophobicContact CB-CD 3.73Å; F116-K121 HydrophobicContact CB-CG 4.44Å; F116-K121 HydrophobicContact CG-CD 4.17Å; E119-K121 PolarHBondContact O-N 2.88Å
122	R	97.5	Very high	97.3	Very high	152 Å²	152	45.9 Å²	45.9	57%	0.574	22%	0.216	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-161.8	154.5	-176.6	-168.7	163	177.9	-168.5	1.6	111.9	Q114 Y124	Q114-R122 PolarHBondContact N-O 3.17Å; Q114-R122 PolarHBondContact O-N 2.89Å; R122-Y124 HydrophobicContact CB-CE2 3.85Å; R122-Y124 WeakPolarHBondContact CD-OH 3.23Å; R122-Y124 HydrophobicContact CG-CD2 4.46Å; R122-Y124 HydrophobicContact CG-CE1 4.18Å; R122-Y124 HydrophobicContact CG-CE2 3.83Å
123	T	98	Very high	97.3	Very high	51 Å²	51	46.1 Å²	46.1	31%	0.313	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	147.4	174.1	66.2	0	0	0	0	110.7	Y61 L112 V113 I120	Y61-T123 HydrophobicContact CE1-CG2 3.84Å; Y61-T123 HydrophobicContact CE2-CG2 4.4Å; L112-T123 CarbonylContact O-C 3.5Å; L112-T123 VanDerWaalsContact O-CA 3.32Å; L112-T123 WeakPolarHBondContact O-CA 3.35Å; V113-T123 HydrophobicContact CG1-CG2 4.44Å; V113-T123 HydrophobicContact CG2-CG2 4.23Å; I120-T123 HydrophobicContact CG2-CG2 4.07Å
124	Y	98.4	Very high	97.3	Very high	23 Å²	23	46.3 Å²	46.3	9%	0.09	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	163.2	-172.5	-54.5	-99.8	0	0	0	112.5	Y79 G110 V111 L112 Q114 R122 P126 L160	Y79-Y124 HydrophobicContact CE1-CE2 4.35Å; G110-Y124 CarbonylContact C-O 3.59Å; G110-Y124 VanDerWaalsContact C-O 3.27Å; G110-Y124 WeakPolarHBondContact CA-O 3.4Å; V111-Y124 PolarHBondContact N-O 2.77Å; L112-Y124 HydrophobicContact CD2-CD2 4.44Å; L112-Y124 PolarHBondContact N-O 3.35Å; L112-Y124 PolarHBondContact O-N 3.2Å; Q114-Y124 HydrophobicContact CB-CE2 3.94Å; Q114-Y124 PolarHBondContact OE1-OH 3.3Å; Q114-Y124 VanDerWaalsContact OE1-OH 3.07Å; R122-Y124 HydrophobicContact CB-CE2 3.85Å; R122-Y124 WeakPolarHBondContact CD-OH 3.23Å; R122-Y124 HydrophobicContact CG-CD2 4.46Å; R122-Y124 HydrophobicContact CG-CE1 4.18Å; R122-Y124 HydrophobicContact CG-CE2 3.83Å; Y124-P126 VanDerWaalsContact C-CD 3.47Å; Y124-L160 HydrophobicContact CD1-CB 3.49Å; Y124-L160 VanDerWaalsContact CD1-CB 3.49Å; Y124-L160 HydrophobicContact CD1-CD1 3.75Å; Y124-L160 HydrophobicContact CD1-CG 4.23Å; Y124-L160 HydrophobicContact CD2-CD1 3.92Å; Y124-L160 HydrophobicContact CE1-CB 3.63Å; Y124-L160 HydrophobicContact CE1-CD1 3.55Å; Y124-L160 HydrophobicContact CE1-CG 4.24Å; Y124-L160 HydrophobicContact CE2-CD1 3.77Å; Y124-L160 HydrophobicContact CG-CB 4.22Å; Y124-L160 HydrophobicContact CG-CD1 3.92Å
125	F	97.9	Very high	97.4	Very high	11 Å²	11	45.7 Å²	45.7	5%	0.048	22%	0.216	C	C	.	.			trans	56.3	43.3	174.7	-47.3	-52	0	0	0	117.3	V111 L112 K128 F129 I145 F156 L160 S161	V111-F125 HydrophobicContact CG2-CB 4Å; L112-F125 HydrophobicContact CB-CD2 3.99Å; L112-F125 HydrophobicContact CB-CE2 4.38Å; L112-F125 HydrophobicContact CD2-CD2 4.23Å; L112-F125 HydrophobicContact CD2-CE2 3.76Å; F125-K128 HydrophobicContact CB-CB 4.34Å; F125-K128 HydrophobicContact CD1-CD 4.38Å; F125-F129 HydrophobicContact CB-CD2 3.81Å; F125-F129 HydrophobicContact CB-CE2 3.67Å; F125-F129 AromaticContact CD2-CE2 3.83Å; F125-F129 HydrophobicContact CD2-CE2 3.83Å; F125-F129 HydrophobicContact CG-CD2 4.46Å; F125-F129 AromaticContact CG-CE2 3.82Å; F125-F129 HydrophobicContact CG-CE2 3.82Å; F125-I145 HydrophobicContact CD2-CD1 3.99Å; F125-I145 HydrophobicContact CE2-CD1 3.75Å; F125-F156 HydrophobicContact CD1-CE1 4.3Å; F125-F156 AromaticContact CE1-CD1 3.58Å; F125-F156 HydrophobicContact CE1-CD1 3.58Å; F125-F156 HydrophobicContact CE1-CD2 4.42Å; F125-F156 AromaticContact CE1-CE1 3.72Å; F125-F156 HydrophobicContact CE1-CE1 3.72Å; F125-F156 AromaticContact CE1-CG 3.97Å; F125-F156 HydrophobicContact CE1-CG 3.97Å; F125-F156 HydrophobicContact CE1-CZ 4.23Å; F125-F156 HydrophobicContact CE2-CD2 4.2Å; F125-F156 HydrophobicContact CE2-CE2 4.45Å; F125-F156 HydrophobicContact CE2-CG 4.36Å; F125-F156 HydrophobicContact CZ-CB 4.01Å; F125-F156 AromaticContact CZ-CD1 3.67Å; F125-F156 HydrophobicContact CZ-CD1 3.67Å; F125-F156 AromaticContact CZ-CD2 3.8Å; F125-F156 HydrophobicContact CZ-CD2 3.8Å; F125-F156 HydrophobicContact CZ-CE1 4.08Å; F125-F156 HydrophobicContact CZ-CE2 4.2Å; F125-F156 AromaticContact CZ-CG 3.52Å; F125-F156 HydrophobicContact CZ-CG 3.52Å; F125-F156 HydrophobicContact CZ-CZ 4.34Å; F125-L160 HydrophobicContact CE2-CD2 3.67Å; F125-L160 HydrophobicContact CZ-CB 4.19Å; F125-L160 HydrophobicContact CZ-CD2 3.47Å; F125-L160 VanDerWaalsContact CZ-CD2 3.47Å; F125-L160 HydrophobicContact CZ-CG 4.47Å; F125-S161 WeakPolarHBondContact CE1-O 3.38Å
126	P	96.2	Very high	97.4	Very high	63 Å²	63	46.2 Å²	46.2	41%	0.409	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	148.1	165.7	32.8	-36.6	0	0	0	110.1	Q108 Y124 K128	Q108-P126 WeakPolarHBondContact O-CB 3.47Å; Y124-P126 VanDerWaalsContact C-CD 3.47Å; P126-K128 PolarHBondContact O-N 2.77Å
127	F	95.8	Very high	97.4	Very high	128 Å²	128	44.3 Å²	44.3	56%	0.561	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.2	19.1	176.6	-46.2	-78.8	0	0	0	116.1	P106 I107 Q108	P106-F127 VanDerWaalsContact CB-C 3.43Å; P106-F127 WeakPolarHBondContact CB-O 3.28Å; P106-F127 HydrophobicContact CG-CB 3.97Å; P106-F127 WeakPolarHBondContact CG-O 3.32Å; I107-F127 VanDerWaalsContact O-CA 3.29Å; I107-F127 WeakPolarHBondContact O-CA 3.44Å; I107-F127 PolarHBondContact O-N 2.68Å; Q108-F127 HydrophobicContact CB-CD1 4.03Å; Q108-F127 HydrophobicContact CB-CE1 3.46Å; Q108-F127 VanDerWaalsContact CB-CE1 3.46Å; Q108-F127 HydrophobicContact CB-CZ 3.99Å; Q108-F127 HydrophobicContact CG-CD1 3.93Å; Q108-F127 HydrophobicContact CG-CE1 3.47Å; Q108-F127 VanDerWaalsContact CG-CE1 3.47Å; Q108-F127 HydrophobicContact CG-CZ 4.42Å
128	K	96.1	Very high	97.5	Very high	42 Å²	42	39.8 Å²	39.8	18%	0.183	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-47.3	179.9	-177.4	172.9	-84.9	-86.5	0	113.9	F125 P126 F156 S162	F125-K128 HydrophobicContact CB-CB 4.34Å; F125-K128 HydrophobicContact CD1-CD 4.38Å; P126-K128 PolarHBondContact O-N 2.77Å; K128-F156 HydrophobicContact CD-CE1 4.03Å; K128-F156 HydrophobicContact CD-CZ 3.7Å; K128-S162 WeakPolarHBondContact CE-O 3.36Å; K128-S162 PolarHBondContact NZ-O 2.86Å
129	F	97.9	Very high	97.5	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.212	C	C	.	.			trans	-99.6	157.3	-170.1	-68	-77.9	0	0	0	112.4	I107 V111 F125 P132 I145 D147 F154 F156	I107-F129 PolarHBondContact N-O 3.43Å; V111-F129 HydrophobicContact CG1-CB 4.48Å; V111-F129 HydrophobicContact CG2-CB 4.2Å; V111-F129 HydrophobicContact CG2-CD2 3.46Å; V111-F129 VanDerWaalsContact CG2-CD2 3.46Å; V111-F129 HydrophobicContact CG2-CE2 4.19Å; V111-F129 HydrophobicContact CG2-CG 4.15Å; F125-F129 HydrophobicContact CB-CD2 3.81Å; F125-F129 HydrophobicContact CB-CE2 3.67Å; F125-F129 AromaticContact CD2-CE2 3.83Å; F125-F129 HydrophobicContact CD2-CE2 3.83Å; F125-F129 HydrophobicContact CG-CD2 4.46Å; F125-F129 AromaticContact CG-CE2 3.82Å; F125-F129 HydrophobicContact CG-CE2 3.82Å; F129-P132 HydrophobicContact CB-CB 4.26Å; F129-P132 HydrophobicContact CB-CG 4.21Å; F129-P132 HydrophobicContact CD1-CB 4.46Å; F129-P132 HydrophobicContact CG-CB 4.38Å; F129-I145 HydrophobicContact CD1-CG2 4.31Å; F129-I145 HydrophobicContact CE1-CB 4.26Å; F129-I145 HydrophobicContact CE1-CG2 3.59Å; F129-I145 HydrophobicContact CE2-CD1 4.18Å; F129-I145 HydrophobicContact CE2-CG2 4.48Å; F129-I145 HydrophobicContact CZ-CB 4.02Å; F129-I145 HydrophobicContact CZ-CD1 3.96Å; F129-I145 HydrophobicContact CZ-CG2 3.67Å; F129-D147 WeakPolarHBondContact CA-OD2 3.49Å; F129-D147 WeakPolarHBondContact CB-OD2 3.38Å; F129-D147 HydrophobicContact CD1-CB 3.85Å; F129-D147 WeakPolarHBondContact CD1-OD2 3.31Å; F129-D147 HydrophobicContact CE1-CB 4.31Å; F129-F154 HydrophobicContact CD1-CE2 4.43Å; F129-F154 AromaticContact CE1-CD2 3.6Å; F129-F154 HydrophobicContact CE1-CD2 3.6Å; F129-F154 AromaticContact CE1-CE2 3.83Å; F129-F154 HydrophobicContact CE1-CE2 3.83Å; F129-F154 HydrophobicContact CE1-CG 4.32Å; F129-F154 HydrophobicContact CZ-CD2 4.27Å; F129-F156 HydrophobicContact CE2-CE2 4.43Å; F129-F156 HydrophobicContact CE2-CZ 4.43Å; F129-F156 AromaticContact CZ-CE2 3.78Å; F129-F156 HydrophobicContact CZ-CE2 3.78Å; F129-F156 AromaticContact CZ-CZ 3.98Å; F129-F156 HydrophobicContact CZ-CZ 3.98Å
130	F	97.5	Very high	97.4	Very high	1 Å²	1	44.2 Å²	44.2	0%	0.004	22%	0.219	C	C	.	.	S	Bend	trans	-116.6	-45.1	-178.5	-79.4	-101.4	0	0	0	111.5	R86 Y99 K103 E105 P106 I107 D147 A149 L150 R171 F172	R86-F130 PolarHBondContact NH1-O 3.1Å; Y99-F130 HydrophobicContact CD1-CD1 4.49Å; Y99-F130 AromaticContact CE1-CD1 3.64Å; Y99-F130 HydrophobicContact CE1-CD1 3.64Å; Y99-F130 HydrophobicContact CE1-CE1 4.32Å; Y99-F130 HydrophobicContact CE1-CG 4.5Å; Y99-F130 AromaticContact CZ-CD1 3.97Å; K103-F130 WeakPolarHBondContact O-CZ 3.09Å; E105-F130 WeakPolarHBondContact O-CE1 3.49Å; P106-F130 HydrophobicContact CB-CD2 4.26Å; P106-F130 HydrophobicContact CB-CE2 3.64Å; P106-F130 HydrophobicContact CB-CZ 3.81Å; P106-F130 HydrophobicContact CG-CZ 4.42Å; I107-F130 WeakPolarHBondContact CD1-O 3.46Å; F130-D147 PolarHBondContact N-OD2 3.23Å; F130-A149 HydrophobicContact CB-CB 3.57Å; F130-L150 HydrophobicContact CD2-CD1 4.41Å; F130-L150 HydrophobicContact CD2-CD2 3.62Å; F130-L150 HydrophobicContact CD2-CG 4.16Å; F130-L150 HydrophobicContact CE2-CD2 4.17Å; F130-L150 HydrophobicContact CG-CD2 4.28Å; F130-R171 VanDerWaalsContact CE2-NH2 3.3Å; F130-F172 HydrophobicContact CD1-CE1 4.13Å; F130-F172 HydrophobicContact CD1-CZ 4.13Å; F130-F172 HydrophobicContact CD2-CE1 4.27Å; F130-F172 AromaticContact CD2-CZ 3.97Å; F130-F172 HydrophobicContact CD2-CZ 3.97Å; F130-F172 HydrophobicContact CE1-CE1 4.33Å; F130-F172 AromaticContact CE1-CZ 3.9Å; F130-F172 HydrophobicContact CE1-CZ 3.9Å; F130-F172 HydrophobicContact CE2-CE1 4.47Å; F130-F172 AromaticContact CE2-CZ 3.75Å; F130-F172 HydrophobicContact CE2-CZ 3.75Å; F130-F172 HydrophobicContact CG-CE1 4.11Å; F130-F172 HydrophobicContact CG-CZ 4.17Å; F130-F172 AromaticContact CZ-CZ 3.71Å; F130-F172 HydrophobicContact CZ-CZ 3.71Å
131	L	96.5	Very high	97.4	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.218	C	C	.	.	S	Bend	trans	-147	78	172.6	-72.7	178.4	0	0	0	108.4	R86 W88 T92 F93 Y99 D147 V148 A149	R86-L131 HydrophobicContact CB-CD2 3.8Å; W88-L131 HydrophobicContact CB-CD1 4.43Å; W88-L131 HydrophobicContact CB-CD2 4.45Å; W88-L131 HydrophobicContact CG-CD1 4.35Å; T92-L131 HydrophobicContact CG2-CD1 3.41Å; T92-L131 VanDerWaalsContact CG2-CD1 3.41Å; F93-L131 HydrophobicContact CE2-CD1 3.86Å; F93-L131 HydrophobicContact CZ-CD1 3.93Å; Y99-L131 HydrophobicContact CD2-CD1 4.39Å; Y99-L131 HydrophobicContact CE2-CD1 3.91Å; Y99-L131 HydrophobicContact CE2-CG 4.27Å; L131-D147 PolarHBondContact N-OD1 2.83Å; L131-D147 PolarHBondContact N-OD2 2.9Å; L131-D147 CarbonylContact O-C 3.57Å; L131-D147 WeakPolarHBondContact O-CA 3.36Å; L131-V148 HydrophobicContact CB-CB 4.04Å; L131-V148 HydrophobicContact CB-CG2 4.3Å; L131-V148 VanDerWaalsContact O-CG2 3.31Å; L131-V148 WeakPolarHBondContact O-CG2 3.44Å; L131-V148 PolarHBondContact O-N 3.29Å; L131-A149 HydrophobicContact CB-CB 3.89Å; L131-A149 HydrophobicContact CD1-CB 4.01Å; L131-A149 HydrophobicContact CG-CB 3.99Å
132	P	98.2	Very high	97.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	147.7	175.1	28.9	-34.1	0	0	0	110.8	S66 L81 H82 R83 I107 V111 F129 I145 T146	S66-P132 WeakPolarHBondContact CB-O 3.32Å; S66-P132 PolarHBondContact OG-O 2.8Å; L81-P132 HydrophobicContact CD1-CB 3.81Å; L81-P132 HydrophobicContact CD1-CG 4.33Å; L81-P132 HydrophobicContact CD2-CB 3.88Å; L81-P132 HydrophobicContact CG-CB 3.84Å; L81-P132 HydrophobicContact CG-CG 4.39Å; H82-P132 WeakPolarHBondContact O-CG 3.4Å; R83-P132 HydrophobicContact CG-CG 4.21Å; R83-P132 PolarHBondContact NE-O 2.82Å; I107-P132 HydrophobicContact CD1-CG 4.32Å; V111-P132 HydrophobicContact CB-CG 4.14Å; V111-P132 HydrophobicContact CG1-CG 4.22Å; V111-P132 HydrophobicContact CG2-CG 4.5Å; F129-P132 HydrophobicContact CB-CB 4.26Å; F129-P132 HydrophobicContact CB-CG 4.21Å; F129-P132 HydrophobicContact CD1-CB 4.46Å; F129-P132 HydrophobicContact CG-CB 4.38Å; P132-I145 HydrophobicContact CB-CG2 4.42Å; P132-T146 WeakPolarHBondContact CA-O 3.12Å
133	H	98.2	Very high	97.5	Very high	4 Å²	4	30.8 Å²	30.8	2%	0.019	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	-82.2	-174	-169	-80.7	0	0	0	112.9	S66 S67 R83 T146 V148 T185 Y201 H238 H342	S66-H133 CarbonylContact C-O 3.59Å; S66-H133 VanDerWaalsContact CB-O 3.28Å; S66-H133 WeakPolarHBondContact CB-O 3.4Å; S66-H133 PolarHBondContact OG-O 2.78Å; S67-H133 WeakPolarHBondContact CB-O 3.45Å; R83-H133 PolarHBondContact NH2-CD2 3.1Å; R83-H133 VanDerWaalsContact NH2-CD2 3.31Å; H133-T146 PolarHBondContact N-O 3.4Å; H133-V148 HydrophobicContact CB-CG2 3.49Å; H133-V148 VanDerWaalsContact CB-CG2 3.49Å; H133-T185 PolarHBondContact ND1-O 2.89Å; H133-Y201 AromaticContact CD2-CE2 3.9Å; H133-Y201 AromaticContact NE2-CE2 3.46Å; H133-Y201 WeakPolarHBondContact NE2-CE2 3.14Å; H133-Y201 AromaticContact NE2-CZ 3.63Å; H133-Y201 PolarHBondContact NE2-OH 2.81Å; H133-H238 AromaticContact CE1-CD2 3.75Å; H133-H238 AromaticContact CE1-CE1 3.8Å; H133-H238 AromaticContact CE1-NE2 3.26Å; H133-H238 PolarHBondContact CE1-NE2 3.03Å; H133-H238 VanDerWaalsContact CE1-NE2 3.26Å; H133-H238 AromaticContact NE2-CD2 3.97Å; H133-H238 AromaticContact NE2-NE2 3.3Å; H133-H238 PolarHBondContact NE2-NE2 2.92Å; H133-H342 AromaticContact NE2-CE1 3.62Å; H133-H342 AromaticContact NE2-NE2 3.7Å
134	G	98.5	Very high	97.5	Very high	4 Å²	4	28.5 Å²	28.5	4%	0.041	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	148.8	-179.3	0	0	0	0	0	112.2	L81 I145 T146 T185	L81-G134 VanDerWaalsContact CD2-O 3.25Å; L81-G134 WeakPolarHBondContact CD2-O 3.34Å; G134-I145 WeakPolarHBondContact O-CA 3.45Å; G134-T146 WeakPolarHBondContact CA-OG1 3.45Å; G134-T146 PolarHBondContact N-OG1 3.21Å; G134-T146 PolarHBondContact O-N 3.21Å; G134-T185 VanDerWaalsContact CA-O 3.28Å; G134-T185 WeakPolarHBondContact CA-O 3.1Å; G134-T185 PolarHBondContact N-O 3.23Å
135	L	98.7	Very high	97.5	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	124.9	177	175	67	0	0	0	108.4	K69 L81 L112 F143 W144 I145	K69-L135 HydrophobicContact CB-CD2 4.36Å; K69-L135 WeakPolarHBondContact CE-O 3.31Å; K69-L135 HydrophobicContact CG-CD2 4.27Å; K69-L135 HydrophobicContact CG-CG 4.12Å; K69-L135 VanDerWaalsContact CG-O 3.3Å; K69-L135 WeakPolarHBondContact CG-O 3.21Å; L81-L135 HydrophobicContact CB-CB 4.12Å; L81-L135 HydrophobicContact CB-CD2 4.22Å; L81-L135 HydrophobicContact CD2-CB 4.01Å; L112-L135 HydrophobicContact CD1-CD1 3.82Å; L112-L135 HydrophobicContact CD1-CD2 3.72Å; L112-L135 HydrophobicContact CD1-CG 4.44Å; L135-F143 HydrophobicContact CD1-CD1 4.21Å; L135-W144 WeakPolarHBondContact CA-O 3.42Å; L135-I145 HydrophobicContact CD1-CD1 4.4Å; L135-I145 HydrophobicContact CD1-CG1 3.91Å
136	T	98.3	Very high	97.6	Very high	12 Å²	12	26.9 Å²	26.9	7%	0.074	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	151.2	171.4	-70.9	0	0	0	0	110.1	W144 V187	T136-W144 PolarHBondContact N-O 3.08Å; T136-W144 PolarHBondContact O-N 2.87Å; T136-V187 WeakPolarHBondContact CB-O 3.4Å; T136-V187 WeakPolarHBondContact CG2-O 3.14Å; T136-V187 PolarHBondContact OG1-O 2.66Å
137	I	98	Very high	97.7	Very high	41 Å²	41	23.9 Å²	23.9	21%	0.21	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	121.5	173.8	-56.9	172.5	0	0	0	105.9	K69 T71 Y79 N142 F143	K69-I137 HydrophobicContact CB-CD1 4.32Å; T71-I137 HydrophobicContact CG2-CD1 3.35Å; Y79-I137 HydrophobicContact CD2-CD1 3.89Å; Y79-I137 HydrophobicContact CE2-CD1 4.39Å; Y79-I137 HydrophobicContact CG-CD1 4.48Å; I137-N142 CarbonylContact C-O 3.6Å; I137-N142 WeakPolarHBondContact CA-O 3.49Å; I137-F143 HydrophobicContact CD1-CD1 4.11Å; I137-F143 HydrophobicContact CD1-CE1 3.48Å; I137-F143 VanDerWaalsContact CD1-CE1 3.48Å; I137-F143 HydrophobicContact CD1-CZ 3.91Å; I137-F143 HydrophobicContact CG1-CD1 3.75Å; I137-F143 HydrophobicContact CG1-CE1 3.64Å; I137-F143 HydrophobicContact CG1-CG 4.41Å; I137-F143 HydrophobicContact CG1-CZ 4.22Å
138	D	97.4	Very high	97.8	Very high	9 Å²	9	17.8 Å²	17.8	5%	0.048	10%	0.103	C	C	.	.			trans	-78.6	168	-179.4	75	16.6	0	0	0	112	D140 G141 N142 W144 K155 V189	D138-D140 PolarHBondContact O-N 3.39Å; D138-D140 VanDerWaalsContact O-N 3.12Å; D138-D140 WeakPolarHBondContact OD1-CB 3.1Å; D138-D140 PolarHBondContact OD1-N 3.2Å; D138-D140 VanDerWaalsContact OD1-N 3.11Å; D138-G141 WeakPolarHBondContact O-CA 3.43Å; D138-G141 PolarHBondContact O-N 2.82Å; D138-G141 PolarHBondContact OD1-N 2.99Å; D138-N142 PolarHBondContact N-O 2.81Å; D138-N142 WeakPolarHBondContact OD1-CB 3.29Å; D138-N142 PolarHBondContact OD1-N 3.07Å; D138-N142 PolarHBondContact OD1-ND2 3.22Å; D138-N142 WeakPolarHBondContact OD2-CB 3.41Å; D138-N142 PolarHBondContact OD2-ND2 3.18Å; D138-N142 VanDerWaalsContact OD2-ND2 3.12Å; D138-W144 PolarHBondContact OD2-NE1 2.95Å; D138-K155 WeakPolarHBondContact OD2-CE 3.33Å; D138-K155 IonicContact OD2-NZ 2.71Å; D138-K155 PolarHBondContact OD2-NZ 3.31Å; D138-V189 HydrophobicContact CB-CB 3.66Å; D138-V189 HydrophobicContact CB-CG1 3.81Å; D138-V189 HydrophobicContact CB-CG2 4.04Å
139	P	95.3	Very high	97.9	Very high	83 Å²	83	15.8 Å²	15.8	54%	0.539	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-21.8	-178.6	-30.6	40.2	0	0	0	115.5	G141	P139-G141 VanDerWaalsContact C-N 3.25Å
140	D	96.2	Very high	97.9	Very high	127 Å²	127	15.8 Å²	15.8	68%	0.679	10%	0.095	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.3	0.9	173.9	-67.5	-36.4	0	0	0	112.5	D138 N142	D138-D140 PolarHBondContact O-N 3.39Å; D138-D140 VanDerWaalsContact O-N 3.12Å; D138-D140 WeakPolarHBondContact OD1-CB 3.1Å; D138-D140 PolarHBondContact OD1-N 3.2Å; D138-D140 VanDerWaalsContact OD1-N 3.11Å; D140-N142 WeakPolarHBondContact CB-ND2 3.33Å
141	G	96.7	Very high	98	Very high	24 Å²	24	15.7 Å²	15.7	25%	0.247	10%	0.095	C	C	.	.	S	Bend	trans	79.5	12.7	-178	0	0	0	0	0	114.2	D138 P139 F143 S158	D138-G141 WeakPolarHBondContact O-CA 3.43Å; D138-G141 PolarHBondContact O-N 2.82Å; D138-G141 PolarHBondContact OD1-N 2.99Å; P139-G141 VanDerWaalsContact C-N 3.25Å; G141-F143 WeakPolarHBondContact O-CE2 3.48Å; G141-S158 WeakPolarHBondContact O-CA 3.33Å; G141-S158 WeakPolarHBondContact O-CB 3.39Å
142	N	98.2	Very high	98.1	Very high	17 Å²	17	16.4 Å²	16.4	9%	0.091	10%	0.098	C	C	.	.			trans	-78.8	147.5	175.5	-50.6	-68.3	0	0	0	110.6	I137 D138 D140 K155 F156 S157	I137-N142 CarbonylContact C-O 3.6Å; I137-N142 WeakPolarHBondContact CA-O 3.49Å; D138-N142 PolarHBondContact N-O 2.81Å; D138-N142 WeakPolarHBondContact OD1-CB 3.29Å; D138-N142 PolarHBondContact OD1-N 3.07Å; D138-N142 PolarHBondContact OD1-ND2 3.22Å; D138-N142 WeakPolarHBondContact OD2-CB 3.41Å; D138-N142 PolarHBondContact OD2-ND2 3.18Å; D138-N142 VanDerWaalsContact OD2-ND2 3.12Å; D140-N142 WeakPolarHBondContact CB-ND2 3.33Å; N142-K155 HydrophobicContact CB-CD 4.48Å; N142-K155 HydrophobicContact CB-CG 4.09Å; N142-K155 VanDerWaalsContact CG-CE 3.47Å; N142-K155 WeakPolarHBondContact ND2-CE 3.17Å; N142-K155 PolarHBondContact ND2-NZ 3.07Å; N142-F156 CarbonylContact C-O 3.48Å; N142-F156 VanDerWaalsContact CA-O 3.26Å; N142-F156 WeakPolarHBondContact CA-O 3.32Å; N142-F156 WeakPolarHBondContact CB-O 3.2Å; N142-S157 WeakPolarHBondContact OD1-CA 3.22Å
143	F	98.7	Very high	98.1	Very high	6 Å²	6	16.4 Å²	16.4	3%	0.026	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	127.6	-177.5	-69.5	-104.3	0	0	0	110.6	Y79 L112 L135 I137 G141 K155 F156 L160	Y79-F143 AromaticContact CD1-CE1 3.68Å; Y79-F143 HydrophobicContact CD1-CE1 3.68Å; Y79-F143 HydrophobicContact CD1-CZ 4.16Å; Y79-F143 AromaticContact CD2-CE1 3.92Å; Y79-F143 HydrophobicContact CD2-CE1 3.92Å; Y79-F143 HydrophobicContact CD2-CZ 4.19Å; Y79-F143 AromaticContact CE1-CE1 3.78Å; Y79-F143 HydrophobicContact CE1-CE1 3.78Å; Y79-F143 AromaticContact CE1-CZ 3.77Å; Y79-F143 HydrophobicContact CE1-CZ 3.77Å; Y79-F143 HydrophobicContact CE2-CE1 4.01Å; Y79-F143 AromaticContact CE2-CZ 3.8Å; Y79-F143 HydrophobicContact CE2-CZ 3.8Å; Y79-F143 AromaticContact CG-CE1 3.75Å; Y79-F143 HydrophobicContact CG-CE1 3.75Å; Y79-F143 HydrophobicContact CG-CZ 4.35Å; Y79-F143 AromaticContact CZ-CE1 3.95Å; Y79-F143 AromaticContact CZ-CZ 3.58Å; L112-F143 HydrophobicContact CD2-CD1 4.06Å; L112-F143 HydrophobicContact CD2-CE1 4.31Å; L135-F143 HydrophobicContact CD1-CD1 4.21Å; I137-F143 HydrophobicContact CD1-CD1 4.11Å; I137-F143 HydrophobicContact CD1-CE1 3.48Å; I137-F143 VanDerWaalsContact CD1-CE1 3.48Å; I137-F143 HydrophobicContact CD1-CZ 3.91Å; I137-F143 HydrophobicContact CG1-CD1 3.75Å; I137-F143 HydrophobicContact CG1-CE1 3.64Å; I137-F143 HydrophobicContact CG1-CG 4.41Å; I137-F143 HydrophobicContact CG1-CZ 4.22Å; G141-F143 WeakPolarHBondContact O-CE2 3.48Å; F143-K155 CarbonylContact O-C 3.6Å; F143-K155 WeakPolarHBondContact O-CA 3.15Å; F143-F156 HydrophobicContact CB-CB 4.36Å; F143-F156 PolarHBondContact N-O 2.81Å; F143-F156 PolarHBondContact O-N 3.44Å; F143-L160 HydrophobicContact CB-CD2 3.85Å; F143-L160 HydrophobicContact CD1-CD2 3.88Å; F143-L160 HydrophobicContact CD2-CD1 4.4Å; F143-L160 HydrophobicContact CD2-CD2 3.41Å; F143-L160 VanDerWaalsContact CD2-CD2 3.41Å; F143-L160 HydrophobicContact CD2-CG 3.81Å; F143-L160 HydrophobicContact CE1-CD1 4.33Å; F143-L160 HydrophobicContact CE1-CD2 4.28Å; F143-L160 HydrophobicContact CE2-CD1 4Å; F143-L160 HydrophobicContact CE2-CD2 3.88Å; F143-L160 HydrophobicContact CE2-CG 3.81Å; F143-L160 HydrophobicContact CG-CD2 3.43Å; F143-L160 VanDerWaalsContact CG-CD2 3.43Å; F143-L160 HydrophobicContact CG-CG 4.29Å; F143-L160 HydrophobicContact CZ-CD1 3.98Å; F143-L160 HydrophobicContact CZ-CD2 4.29Å; F143-L160 HydrophobicContact CZ-CG 4.28Å
144	W	98.8	Very high	98.1	Very high	3 Å²	3	16.7 Å²	16.7	1%	0.011	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	125.9	175.5	-68	79.5	0	0	0	109.7	L135 T136 D138 V153 F154 K155 L166 V187 V189 V195	L135-W144 WeakPolarHBondContact CA-O 3.42Å; T136-W144 PolarHBondContact N-O 3.08Å; T136-W144 PolarHBondContact O-N 2.87Å; D138-W144 PolarHBondContact OD2-NE1 2.95Å; W144-V153 HydrophobicContact CE3-CG1 4.02Å; W144-V153 HydrophobicContact CZ3-CG1 4.42Å; W144-F154 CarbonylContact C-O 3.6Å; W144-F154 VanDerWaalsContact CA-O 3.25Å; W144-F154 WeakPolarHBondContact CA-O 3.33Å; W144-K155 HydrophobicContact CD2-CB 4.04Å; W144-K155 HydrophobicContact CD2-CG 4.15Å; W144-K155 HydrophobicContact CE3-CB 4.08Å; W144-K155 HydrophobicContact CH2-CB 4.02Å; W144-K155 HydrophobicContact CH2-CD 3.99Å; W144-K155 HydrophobicContact CH2-CG 4.26Å; W144-K155 HydrophobicContact CZ2-CB 3.98Å; W144-K155 HydrophobicContact CZ2-CD 3.41Å; W144-K155 VanDerWaalsContact CZ2-CD 3.41Å; W144-K155 HydrophobicContact CZ2-CG 3.73Å; W144-K155 HydrophobicContact CZ3-CB 4.07Å; W144-L166 HydrophobicContact CH2-CD2 3.89Å; W144-L166 HydrophobicContact CZ3-CD2 4.2Å; W144-V187 HydrophobicContact CB-CB 4.13Å; W144-V187 HydrophobicContact CB-CG1 4.11Å; W144-V187 HydrophobicContact CB-CG2 4.43Å; W144-V187 HydrophobicContact CD2-CG1 4.09Å; W144-V187 HydrophobicContact CE3-CG1 3.9Å; W144-V187 HydrophobicContact CG-CG1 4.21Å; W144-V189 HydrophobicContact CD2-CG2 4.04Å; W144-V189 HydrophobicContact CG-CG2 4.15Å; W144-V189 HydrophobicContact CZ2-CG2 4.04Å; W144-V195 HydrophobicContact CE3-CG1 4.33Å; W144-V195 HydrophobicContact CH2-CB 4.36Å; W144-V195 HydrophobicContact CH2-CG1 3.92Å; W144-V195 HydrophobicContact CH2-CG2 3.53Å; W144-V195 HydrophobicContact CZ2-CG2 3.78Å; W144-V195 HydrophobicContact CZ3-CG1 3.81Å; W144-V195 HydrophobicContact CZ3-CG2 4.29Å
145	I	98.9	Very high	98.1	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	131.3	-178	-61.9	175.1	0	0	0	109.3	L81 F125 F129 P132 G134 L135 F154 F156	L81-I145 HydrophobicContact CD1-CD1 4.28Å; L81-I145 HydrophobicContact CD1-CG2 4.37Å; L81-I145 HydrophobicContact CD2-CG2 3.93Å; F125-I145 HydrophobicContact CD2-CD1 3.99Å; F125-I145 HydrophobicContact CE2-CD1 3.75Å; F129-I145 HydrophobicContact CD1-CG2 4.31Å; F129-I145 HydrophobicContact CE1-CB 4.26Å; F129-I145 HydrophobicContact CE1-CG2 3.59Å; F129-I145 HydrophobicContact CE2-CD1 4.18Å; F129-I145 HydrophobicContact CE2-CG2 4.48Å; F129-I145 HydrophobicContact CZ-CB 4.02Å; F129-I145 HydrophobicContact CZ-CD1 3.96Å; F129-I145 HydrophobicContact CZ-CG2 3.67Å; P132-I145 HydrophobicContact CB-CG2 4.42Å; G134-I145 WeakPolarHBondContact O-CA 3.45Å; L135-I145 HydrophobicContact CD1-CD1 4.4Å; L135-I145 HydrophobicContact CD1-CG1 3.91Å; I145-F154 PolarHBondContact N-O 2.74Å; I145-F154 PolarHBondContact O-N 2.72Å; I145-F156 HydrophobicContact CD1-CD2 4.45Å; I145-F156 HydrophobicContact CD1-CE2 4.41Å
146	T	98.9	Very high	98.1	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	143.2	167.9	65.6	0	0	0	0	110.2	P132 H133 G134 V153 P184 T185 V187	P132-T146 WeakPolarHBondContact CA-O 3.12Å; H133-T146 PolarHBondContact N-O 3.4Å; G134-T146 WeakPolarHBondContact CA-OG1 3.45Å; G134-T146 PolarHBondContact N-OG1 3.21Å; G134-T146 PolarHBondContact O-N 3.21Å; T146-V153 HydrophobicContact CG2-CG1 4.38Å; T146-V153 HydrophobicContact CG2-CG2 3.9Å; T146-P184 WeakPolarHBondContact CB-O 3.37Å; T146-P184 HydrophobicContact CG2-CB 4.32Å; T146-P184 PolarHBondContact OG1-O 2.78Å; T146-T185 PolarHBondContact OG1-O 2.82Å; T146-V187 HydrophobicContact CG2-CG2 3.61Å
147	D	98.7	Very high	98.1	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	121	170.6	-172.8	-58.3	0	0	0	110.4	F129 F130 L131 A149 L150 H151 Q152 F154	F129-D147 WeakPolarHBondContact CA-OD2 3.49Å; F129-D147 WeakPolarHBondContact CB-OD2 3.38Å; F129-D147 HydrophobicContact CD1-CB 3.85Å; F129-D147 WeakPolarHBondContact CD1-OD2 3.31Å; F129-D147 HydrophobicContact CE1-CB 4.31Å; F130-D147 PolarHBondContact N-OD2 3.23Å; L131-D147 PolarHBondContact N-OD1 2.83Å; L131-D147 PolarHBondContact N-OD2 2.9Å; L131-D147 CarbonylContact O-C 3.57Å; L131-D147 WeakPolarHBondContact O-CA 3.36Å; D147-A149 WeakPolarHBondContact OD1-CA 3.38Å; D147-A149 WeakPolarHBondContact OD1-CB 3.49Å; D147-A149 PolarHBondContact OD1-N 3.19Å; D147-L150 HydrophobicContact CB-CB 3.98Å; D147-L150 HydrophobicContact CB-CD1 4.06Å; D147-L150 HydrophobicContact CB-CG 4.1Å; D147-L150 WeakPolarHBondContact OD1-CG 2.96Å; D147-L150 PolarHBondContact OD1-N 3.05Å; D147-H151 WeakPolarHBondContact O-CA 3.31Å; D147-H151 PolarHBondContact O-N 3.26Å; D147-Q152 PolarHBondContact N-O 2.81Å; D147-Q152 PolarHBondContact O-N 3.19Å; D147-F154 HydrophobicContact CB-CE2 4.15Å
148	V	98.1	Very high	98.1	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-41.9	-173.4	-159.9	0	0	0	0	111.3	W88 F93 L131 H133 H151 K183	W88-V148 HydrophobicContact CE3-CG1 4.25Å; W88-V148 HydrophobicContact CE3-CG2 4.32Å; W88-V148 HydrophobicContact CH2-CG1 3.37Å; W88-V148 HydrophobicContact CH2-CG2 4.45Å; W88-V148 HydrophobicContact CZ2-CG1 3.88Å; W88-V148 HydrophobicContact CZ3-CB 4.3Å; W88-V148 HydrophobicContact CZ3-CG1 3.59Å; W88-V148 HydrophobicContact CZ3-CG2 3.87Å; F93-V148 HydrophobicContact CE2-CG1 4.34Å; F93-V148 HydrophobicContact CZ-CB 4.43Å; F93-V148 HydrophobicContact CZ-CG1 4.02Å; L131-V148 HydrophobicContact CB-CB 4.04Å; L131-V148 HydrophobicContact CB-CG2 4.3Å; L131-V148 VanDerWaalsContact O-CG2 3.31Å; L131-V148 WeakPolarHBondContact O-CG2 3.44Å; L131-V148 PolarHBondContact O-N 3.29Å; H133-V148 HydrophobicContact CB-CG2 3.49Å; H133-V148 VanDerWaalsContact CB-CG2 3.49Å; V148-H151 PolarHBondContact O-CE1 2.61Å; V148-H151 VanDerWaalsContact O-CE1 3.27Å; V148-H151 PolarHBondContact O-N 3.3Å; V148-H151 PolarHBondContact O-ND1 3.42Å; V148-K183 HydrophobicContact CG1-CB 3.46Å; V148-K183 VanDerWaalsContact CG1-CB 3.46Å; V148-K183 HydrophobicContact CG1-CD 3.83Å; V148-K183 HydrophobicContact CG1-CG 3.57Å
149	A	97.9	Very high	98	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-35.7	-177.8	0	0	0	0	0	111.8	F93 Y99 F130 L131 D147 H151 F172	F93-A149 HydrophobicContact CZ-CB 4.32Å; Y99-A149 HydrophobicContact CD1-CB 4.42Å; Y99-A149 HydrophobicContact CD2-CB 3.39Å; Y99-A149 HydrophobicContact CE2-CB 3.58Å; Y99-A149 HydrophobicContact CG-CB 3.82Å; F130-A149 HydrophobicContact CB-CB 3.57Å; L131-A149 HydrophobicContact CB-CB 3.89Å; L131-A149 HydrophobicContact CD1-CB 4.01Å; L131-A149 HydrophobicContact CG-CB 3.99Å; D147-A149 WeakPolarHBondContact OD1-CA 3.38Å; D147-A149 WeakPolarHBondContact OD1-CB 3.49Å; D147-A149 PolarHBondContact OD1-N 3.19Å; A149-H151 VanDerWaalsContact C-N 3.29Å; A149-F172 WeakPolarHBondContact O-CD1 3.09Å
150	L	98.5	Very high	98.1	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-20	176	-60.6	-178.4	0	0	0	112.1	F130 D147 Q152 F154 R171 F172	F130-L150 HydrophobicContact CD2-CD1 4.41Å; F130-L150 HydrophobicContact CD2-CD2 3.62Å; F130-L150 HydrophobicContact CD2-CG 4.16Å; F130-L150 HydrophobicContact CE2-CD2 4.17Å; F130-L150 HydrophobicContact CG-CD2 4.28Å; D147-L150 HydrophobicContact CB-CB 3.98Å; D147-L150 HydrophobicContact CB-CD1 4.06Å; D147-L150 HydrophobicContact CB-CG 4.1Å; D147-L150 WeakPolarHBondContact OD1-CG 2.96Å; D147-L150 PolarHBondContact OD1-N 3.05Å; L150-Q152 HydrophobicContact CB-CB 4.07Å; L150-Q152 HydrophobicContact CB-CG 4.31Å; L150-Q152 WeakPolarHBondContact O-CG 3.38Å; L150-Q152 PolarHBondContact O-N 2.96Å; L150-F154 HydrophobicContact CD1-CE2 3.95Å; L150-F154 HydrophobicContact CD1-CZ 3.72Å; L150-R171 HydrophobicContact CD2-CG 3.92Å; L150-R171 WeakPolarHBondContact O-CA 3.5Å; L150-F172 HydrophobicContact CD2-CD1 3.93Å; L150-F172 HydrophobicContact CD2-CD2 4.42Å; L150-F172 HydrophobicContact CD2-CE1 3.45Å; L150-F172 VanDerWaalsContact CD2-CE1 3.45Å; L150-F172 HydrophobicContact CD2-CE2 3.99Å; L150-F172 HydrophobicContact CD2-CG 4.38Å; L150-F172 HydrophobicContact CD2-CZ 3.48Å; L150-F172 VanDerWaalsContact CD2-CZ 3.48Å; L150-F172 PolarHBondContact O-N 3.35Å
151	H	98.6	Very high	98	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	41.5	-170.5	-48.5	-64.8	0	0	0	111.9	F93 N97 D147 V148 A149 P174 K183	F93-H151 AromaticContact CE1-CE1 3.82Å; N97-H151 PolarHBondContact O-CE1 2.89Å; N97-H151 PolarHBondContact O-NE2 2.86Å; N97-H151 VanDerWaalsContact O-NE2 3.12Å; D147-H151 WeakPolarHBondContact O-CA 3.31Å; D147-H151 PolarHBondContact O-N 3.26Å; V148-H151 PolarHBondContact O-CE1 2.61Å; V148-H151 VanDerWaalsContact O-CE1 3.27Å; V148-H151 PolarHBondContact O-N 3.3Å; V148-H151 PolarHBondContact O-ND1 3.42Å; A149-H151 VanDerWaalsContact C-N 3.29Å; H151-P174 VanDerWaalsContact CD2-N 3.29Å; H151-K183 PolarHBondContact ND1-N 3.3Å
152	Q	98.8	Very high	97.8	Very high	15 Å²	15	20.1 Å²	20.1	7%	0.07	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	156	-171.6	-75	-175.4	-55.8	0	0	111.9	D147 L150 F154 T167 L168 G169	D147-Q152 PolarHBondContact N-O 2.81Å; D147-Q152 PolarHBondContact O-N 3.19Å; L150-Q152 HydrophobicContact CB-CB 4.07Å; L150-Q152 HydrophobicContact CB-CG 4.31Å; L150-Q152 WeakPolarHBondContact O-CG 3.38Å; L150-Q152 PolarHBondContact O-N 2.96Å; Q152-F154 HydrophobicContact CB-CD2 4.4Å; Q152-F154 HydrophobicContact CB-CE1 4.36Å; Q152-F154 HydrophobicContact CB-CE2 3.56Å; Q152-F154 HydrophobicContact CB-CZ 3.54Å; Q152-F154 HydrophobicContact CG-CZ 4.34Å; Q152-T167 HydrophobicContact CG-CG2 4.44Å; Q152-T167 VanDerWaalsContact NE2-CG2 3.29Å; Q152-L168 CarbonylContact C-O 3.56Å; Q152-L168 WeakPolarHBondContact CA-O 3.28Å; Q152-L168 WeakPolarHBondContact CB-O 3.4Å; Q152-G169 PolarHBondContact NE2-O 2.82Å; Q152-G169 VanDerWaalsContact NE2-O 3.07Å
153	V	98.9	Very high	97.7	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	134.6	171.2	-178.2	0	0	0	0	108.4	W144 T146 T167 L168 F181 P184 V187 I197	W144-V153 HydrophobicContact CE3-CG1 4.02Å; W144-V153 HydrophobicContact CZ3-CG1 4.42Å; T146-V153 HydrophobicContact CG2-CG1 4.38Å; T146-V153 HydrophobicContact CG2-CG2 3.9Å; V153-T167 WeakPolarHBondContact O-CA 3.47Å; V153-L168 HydrophobicContact CB-CB 4.35Å; V153-L168 PolarHBondContact N-O 2.81Å; V153-L168 PolarHBondContact O-N 3.37Å; V153-F181 HydrophobicContact CG2-CD2 4.29Å; V153-F181 HydrophobicContact CG2-CE2 4.08Å; V153-F181 HydrophobicContact CG2-CZ 4.33Å; V153-P184 HydrophobicContact CG2-CB 3.87Å; V153-P184 HydrophobicContact CG2-CG 3.8Å; V153-V187 HydrophobicContact CG1-CG2 3.5Å; V153-I197 HydrophobicContact CB-CD1 4.17Å; V153-I197 HydrophobicContact CG1-CD1 4.04Å; V153-I197 HydrophobicContact CG2-CD1 4Å; V153-I197 HydrophobicContact CG2-CG2 3.98Å
154	F	98.8	Very high	97.7	Very high	9 Å²	9	26.6 Å²	26.6	4%	0.039	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	138.1	-174.9	-58.2	-88.4	0	0	0	110.7	F129 W144 I145 D147 L150 Q152 F156 P164 L166 T167	F129-F154 HydrophobicContact CD1-CE2 4.43Å; F129-F154 AromaticContact CE1-CD2 3.6Å; F129-F154 HydrophobicContact CE1-CD2 3.6Å; F129-F154 AromaticContact CE1-CE2 3.83Å; F129-F154 HydrophobicContact CE1-CE2 3.83Å; F129-F154 HydrophobicContact CE1-CG 4.32Å; F129-F154 HydrophobicContact CZ-CD2 4.27Å; W144-F154 CarbonylContact C-O 3.6Å; W144-F154 VanDerWaalsContact CA-O 3.25Å; W144-F154 WeakPolarHBondContact CA-O 3.33Å; I145-F154 PolarHBondContact N-O 2.74Å; I145-F154 PolarHBondContact O-N 2.72Å; D147-F154 HydrophobicContact CB-CE2 4.15Å; L150-F154 HydrophobicContact CD1-CE2 3.95Å; L150-F154 HydrophobicContact CD1-CZ 3.72Å; Q152-F154 HydrophobicContact CB-CD2 4.4Å; Q152-F154 HydrophobicContact CB-CE1 4.36Å; Q152-F154 HydrophobicContact CB-CE2 3.56Å; Q152-F154 HydrophobicContact CB-CZ 3.54Å; Q152-F154 HydrophobicContact CG-CZ 4.34Å; F154-F156 HydrophobicContact CB-CD2 4.2Å; F154-F156 HydrophobicContact CB-CE2 3.41Å; F154-F156 VanDerWaalsContact CB-CE2 3.41Å; F154-F156 HydrophobicContact CB-CZ 3.92Å; F154-F156 HydrophobicContact CG-CE2 4.21Å; F154-F156 HydrophobicContact CG-CZ 4.35Å; F154-P164 HydrophobicContact CD1-CB 4.28Å; F154-P164 HydrophobicContact CD1-CG 4.27Å; F154-L166 WeakPolarHBondContact CA-O 3.4Å; F154-T167 HydrophobicContact CD1-CG2 3.89Å; F154-T167 WeakPolarHBondContact CD1-OG1 3.27Å; F154-T167 HydrophobicContact CE1-CG2 3.58Å; F154-T167 HydrophobicContact CZ-CG2 4.35Å
155	K	98.7	Very high	97.7	Very high	34 Å²	34	31.4 Å²	31.4	15%	0.148	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	127.4	165.3	-174.1	-176.6	-169.6	166.1	0	108.9	D138 N142 F143 W144 P164 L165 L166	D138-K155 WeakPolarHBondContact OD2-CE 3.33Å; D138-K155 IonicContact OD2-NZ 2.71Å; D138-K155 PolarHBondContact OD2-NZ 3.31Å; N142-K155 HydrophobicContact CB-CD 4.48Å; N142-K155 HydrophobicContact CB-CG 4.09Å; N142-K155 VanDerWaalsContact CG-CE 3.47Å; N142-K155 WeakPolarHBondContact ND2-CE 3.17Å; N142-K155 PolarHBondContact ND2-NZ 3.07Å; F143-K155 CarbonylContact O-C 3.6Å; F143-K155 WeakPolarHBondContact O-CA 3.15Å; W144-K155 HydrophobicContact CD2-CB 4.04Å; W144-K155 HydrophobicContact CD2-CG 4.15Å; W144-K155 HydrophobicContact CE3-CB 4.08Å; W144-K155 HydrophobicContact CH2-CB 4.02Å; W144-K155 HydrophobicContact CH2-CD 3.99Å; W144-K155 HydrophobicContact CH2-CG 4.26Å; W144-K155 HydrophobicContact CZ2-CB 3.98Å; W144-K155 HydrophobicContact CZ2-CD 3.41Å; W144-K155 VanDerWaalsContact CZ2-CD 3.41Å; W144-K155 HydrophobicContact CZ2-CG 3.73Å; W144-K155 HydrophobicContact CZ3-CB 4.07Å; K155-P164 CarbonylContact O-C 3.53Å; K155-P164 VanDerWaalsContact O-CA 3.23Å; K155-P164 WeakPolarHBondContact O-CA 3.43Å; K155-P164 WeakPolarHBondContact O-CB 3.27Å; K155-L165 HydrophobicContact CB-CB 4.49Å; K155-L165 HydrophobicContact CD-CB 4.32Å; K155-L165 HydrophobicContact CD-CD1 4.3Å; K155-L165 HydrophobicContact CG-CB 4.33Å; K155-L165 HydrophobicContact CG-CD1 4.38Å; K155-L165 PolarHBondContact O-N 2.84Å; K155-L166 HydrophobicContact CB-CB 3.86Å; K155-L166 PolarHBondContact N-O 2.82Å; K155-L166 PolarHBondContact O-N 3.33Å
156	F	98.7	Very high	97.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	145.7	171	-63	-87.8	0	0	0	109.8	F125 K128 F129 N142 F143 I145 F154 S161 P164	F125-F156 HydrophobicContact CD1-CE1 4.3Å; F125-F156 AromaticContact CE1-CD1 3.58Å; F125-F156 HydrophobicContact CE1-CD1 3.58Å; F125-F156 HydrophobicContact CE1-CD2 4.42Å; F125-F156 AromaticContact CE1-CE1 3.72Å; F125-F156 HydrophobicContact CE1-CE1 3.72Å; F125-F156 AromaticContact CE1-CG 3.97Å; F125-F156 HydrophobicContact CE1-CG 3.97Å; F125-F156 HydrophobicContact CE1-CZ 4.23Å; F125-F156 HydrophobicContact CE2-CD2 4.2Å; F125-F156 HydrophobicContact CE2-CE2 4.45Å; F125-F156 HydrophobicContact CE2-CG 4.36Å; F125-F156 HydrophobicContact CZ-CB 4.01Å; F125-F156 AromaticContact CZ-CD1 3.67Å; F125-F156 HydrophobicContact CZ-CD1 3.67Å; F125-F156 AromaticContact CZ-CD2 3.8Å; F125-F156 HydrophobicContact CZ-CD2 3.8Å; F125-F156 HydrophobicContact CZ-CE1 4.08Å; F125-F156 HydrophobicContact CZ-CE2 4.2Å; F125-F156 AromaticContact CZ-CG 3.52Å; F125-F156 HydrophobicContact CZ-CG 3.52Å; F125-F156 HydrophobicContact CZ-CZ 4.34Å; K128-F156 HydrophobicContact CD-CE1 4.03Å; K128-F156 HydrophobicContact CD-CZ 3.7Å; F129-F156 HydrophobicContact CE2-CE2 4.43Å; F129-F156 HydrophobicContact CE2-CZ 4.43Å; F129-F156 AromaticContact CZ-CE2 3.78Å; F129-F156 HydrophobicContact CZ-CE2 3.78Å; F129-F156 AromaticContact CZ-CZ 3.98Å; F129-F156 HydrophobicContact CZ-CZ 3.98Å; N142-F156 CarbonylContact C-O 3.48Å; N142-F156 VanDerWaalsContact CA-O 3.26Å; N142-F156 WeakPolarHBondContact CA-O 3.32Å; N142-F156 WeakPolarHBondContact CB-O 3.2Å; F143-F156 HydrophobicContact CB-CB 4.36Å; F143-F156 PolarHBondContact N-O 2.81Å; F143-F156 PolarHBondContact O-N 3.44Å; I145-F156 HydrophobicContact CD1-CD2 4.45Å; I145-F156 HydrophobicContact CD1-CE2 4.41Å; F154-F156 HydrophobicContact CB-CD2 4.2Å; F154-F156 HydrophobicContact CB-CE2 3.41Å; F154-F156 VanDerWaalsContact CB-CE2 3.41Å; F154-F156 HydrophobicContact CB-CZ 3.92Å; F154-F156 HydrophobicContact CG-CE2 4.21Å; F154-F156 HydrophobicContact CG-CZ 4.35Å; F156-S161 WeakPolarHBondContact CD1-O 3.3Å; F156-P164 HydrophobicContact CD1-CB 4.11Å; F156-P164 HydrophobicContact CE1-CB 3.74Å; F156-P164 HydrophobicContact CE1-CG 4.4Å; F156-P164 HydrophobicContact CZ-CB 3.97Å
157	S	97.9	Very high	97.6	Very high	18 Å²	18	36 Å²	36	13%	0.126	21%	0.206	C	C	.	.			trans	-60.6	161.5	173.5	38.4	0	0	0	0	112.3	N142 N159 L160 S161	N142-S157 WeakPolarHBondContact OD1-CA 3.22Å; S157-N159 WeakPolarHBondContact CB-OD1 3.29Å; S157-N159 PolarHBondContact O-N 2.97Å; S157-N159 PolarHBondContact OG-OD1 2.86Å; S157-L160 PolarHBondContact O-N 3.42Å; S157-S161 PolarHBondContact OG-OG 2.81Å
158	S	97.2	Very high	97.6	Very high	75 Å²	75	36.9 Å²	36.9	52%	0.524	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-20.6	176.5	58.3	0	0	0	0	115	G141 L160	G141-S158 WeakPolarHBondContact O-CA 3.33Å; G141-S158 WeakPolarHBondContact O-CB 3.39Å; S158-L160 VanDerWaalsContact C-N 3.31Å
159	N	96.2	Very high	97.6	Very high	110 Å²	110	37.8 Å²	37.8	59%	0.588	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-2.4	173.8	70.4	-0	0	0	0	114.2	S157 S161	S157-N159 WeakPolarHBondContact CB-OD1 3.29Å; S157-N159 PolarHBondContact O-N 2.97Å; S157-N159 PolarHBondContact OG-OD1 2.86Å; N159-S161 VanDerWaalsContact C-N 3.34Å; N159-S161 PolarHBondContact O-N 2.8Å; N159-S161 PolarHBondContact OD1-N 2.97Å
160	L	97	Very high	97.6	Very high	12 Å²	12	41.4 Å²	41.4	6%	0.063	24%	0.237	C	C	.	.			trans	53.2	44.6	-179.9	-67	164.8	0	0	0	113.3	Y79 L112 Y124 F125 F143 S157 S158	Y79-L160 HydrophobicContact CE1-CD1 3.81Å; L112-L160 HydrophobicContact CD2-CD1 3.98Å; L112-L160 HydrophobicContact CD2-CD2 3.61Å; L112-L160 HydrophobicContact CD2-CG 4.47Å; Y124-L160 HydrophobicContact CD1-CB 3.49Å; Y124-L160 VanDerWaalsContact CD1-CB 3.49Å; Y124-L160 HydrophobicContact CD1-CD1 3.75Å; Y124-L160 HydrophobicContact CD1-CG 4.23Å; Y124-L160 HydrophobicContact CD2-CD1 3.92Å; Y124-L160 HydrophobicContact CE1-CB 3.63Å; Y124-L160 HydrophobicContact CE1-CD1 3.55Å; Y124-L160 HydrophobicContact CE1-CG 4.24Å; Y124-L160 HydrophobicContact CE2-CD1 3.77Å; Y124-L160 HydrophobicContact CG-CB 4.22Å; Y124-L160 HydrophobicContact CG-CD1 3.92Å; F125-L160 HydrophobicContact CE2-CD2 3.67Å; F125-L160 HydrophobicContact CZ-CB 4.19Å; F125-L160 HydrophobicContact CZ-CD2 3.47Å; F125-L160 VanDerWaalsContact CZ-CD2 3.47Å; F125-L160 HydrophobicContact CZ-CG 4.47Å; F143-L160 HydrophobicContact CB-CD2 3.85Å; F143-L160 HydrophobicContact CD1-CD2 3.88Å; F143-L160 HydrophobicContact CD2-CD1 4.4Å; F143-L160 HydrophobicContact CD2-CD2 3.41Å; F143-L160 VanDerWaalsContact CD2-CD2 3.41Å; F143-L160 HydrophobicContact CD2-CG 3.81Å; F143-L160 HydrophobicContact CE1-CD1 4.33Å; F143-L160 HydrophobicContact CE1-CD2 4.28Å; F143-L160 HydrophobicContact CE2-CD1 4Å; F143-L160 HydrophobicContact CE2-CD2 3.88Å; F143-L160 HydrophobicContact CE2-CG 3.81Å; F143-L160 HydrophobicContact CG-CD2 3.43Å; F143-L160 VanDerWaalsContact CG-CD2 3.43Å; F143-L160 HydrophobicContact CG-CG 4.29Å; F143-L160 HydrophobicContact CZ-CD1 3.98Å; F143-L160 HydrophobicContact CZ-CD2 4.29Å; F143-L160 HydrophobicContact CZ-CG 4.28Å; S157-L160 PolarHBondContact O-N 3.42Å; S158-L160 VanDerWaalsContact C-N 3.31Å
161	S	94	Very high	97.6	Very high	43 Å²	43	47.2 Å²	47.2	30%	0.301	26%	0.258	S	S	.	.			trans	-60.6	156.9	172.3	57.6	0	0	0	0	112.6	F125 F156 S157 N159 E163	F125-S161 WeakPolarHBondContact CE1-O 3.38Å; F156-S161 WeakPolarHBondContact CD1-O 3.3Å; S157-S161 PolarHBondContact OG-OG 2.81Å; N159-S161 VanDerWaalsContact C-N 3.34Å; N159-S161 PolarHBondContact O-N 2.8Å; N159-S161 PolarHBondContact OD1-N 2.97Å; S161-E163 VanDerWaalsContact C-N 3.29Å; S161-E163 PolarHBondContact O-N 2.76Å; S161-E163 PolarHBondContact OG-O 3.43Å
162	S	92.7	Very high	97.6	Very high	80 Å²	80	48.6 Å²	48.6	56%	0.559	26%	0.264	S	S	*	.	S	Bend	trans	-62.9	-32.4	-179.7	61.1	0	0	0	0	113.7	K128	K128-S162 WeakPolarHBondContact CE-O 3.36Å; K128-S162 PolarHBondContact NZ-O 2.86Å
163	E	96.4	Very high	97.6	Very high	130 Å²	130	52.6 Å²	52.6	61%	0.607	28%	0.282	S	S	*	.	S	Bend	trans	-88.3	133.3	179.2	-64.2	-47.8	128.9	0	0	111.6	S161	S161-E163 VanDerWaalsContact C-N 3.29Å; S161-E163 PolarHBondContact O-N 2.76Å; S161-E163 PolarHBondContact OG-O 3.43Å
164	P	98	Very high	97.5	Very high	30 Å²	30	53.8 Å²	53.8	20%	0.195	29%	0.289	C	S	.	.			trans	-74.5	145.8	174	31.9	-32.6	0	0	0	110.6	F154 K155 F156 L166 T167	F154-P164 HydrophobicContact CD1-CB 4.28Å; F154-P164 HydrophobicContact CD1-CG 4.27Å; K155-P164 CarbonylContact O-C 3.53Å; K155-P164 VanDerWaalsContact O-CA 3.23Å; K155-P164 WeakPolarHBondContact O-CA 3.43Å; K155-P164 WeakPolarHBondContact O-CB 3.27Å; F156-P164 HydrophobicContact CD1-CB 4.11Å; F156-P164 HydrophobicContact CE1-CB 3.74Å; F156-P164 HydrophobicContact CE1-CG 4.4Å; F156-P164 HydrophobicContact CZ-CB 3.97Å; P164-L166 VanDerWaalsContact C-N 3.34Å; P164-T167 WeakPolarHBondContact CG-OG1 3.35Å
165	L	98.1	Very high	97.5	Very high	104 Å²	104	54.1 Å²	54.1	55%	0.545	30%	0.295	S	S	.	.	S	Bend	trans	-69.8	-33.3	169.9	-60.7	179.2	0	0	0	111.9	K155	K155-L165 HydrophobicContact CB-CB 4.49Å; K155-L165 HydrophobicContact CD-CB 4.32Å; K155-L165 HydrophobicContact CD-CD1 4.3Å; K155-L165 HydrophobicContact CG-CB 4.33Å; K155-L165 HydrophobicContact CG-CD1 4.38Å; K155-L165 PolarHBondContact O-N 2.84Å
166	L	98.3	Very high	97.4	Very high	37 Å²	37	56.4 Å²	56.4	19%	0.194	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	140.7	-179.9	-179.3	66.5	0	0	0	109.3	W144 F154 K155 P164 L168	W144-L166 HydrophobicContact CH2-CD2 3.89Å; W144-L166 HydrophobicContact CZ3-CD2 4.2Å; F154-L166 WeakPolarHBondContact CA-O 3.4Å; K155-L166 HydrophobicContact CB-CB 3.86Å; K155-L166 PolarHBondContact N-O 2.82Å; K155-L166 PolarHBondContact O-N 3.33Å; P164-L166 VanDerWaalsContact C-N 3.34Å; L166-L168 HydrophobicContact CD1-CD2 3.96Å; L166-L168 HydrophobicContact CD2-CD1 4.18Å; L166-L168 HydrophobicContact CD2-CD2 4.02Å; L166-L168 HydrophobicContact CD2-CG 4.02Å; L166-L168 HydrophobicContact CG-CD2 4.01Å; L166-L168 HydrophobicContact CG-CG 4.07Å
167	T	98.5	Very high	97.4	Very high	60 Å²	60	58.9 Å²	58.9	37%	0.368	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	123.8	169.1	-60.4	0	0	0	0	108.3	Q152 V153 F154 P164	Q152-T167 HydrophobicContact CG-CG2 4.44Å; Q152-T167 VanDerWaalsContact NE2-CG2 3.29Å; V153-T167 WeakPolarHBondContact O-CA 3.47Å; F154-T167 HydrophobicContact CD1-CG2 3.89Å; F154-T167 WeakPolarHBondContact CD1-OG1 3.27Å; F154-T167 HydrophobicContact CE1-CG2 3.58Å; F154-T167 HydrophobicContact CZ-CG2 4.35Å; P164-T167 WeakPolarHBondContact CG-OG1 3.35Å
168	L	98.7	Very high	97.3	Very high	18 Å²	18	64 Å²	64	9%	0.094	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	145.2	175.5	-55	175.4	0	0	0	109.3	Q152 V153 L166 F181 I197 F209	Q152-L168 CarbonylContact C-O 3.56Å; Q152-L168 WeakPolarHBondContact CA-O 3.28Å; Q152-L168 WeakPolarHBondContact CB-O 3.4Å; V153-L168 HydrophobicContact CB-CB 4.35Å; V153-L168 PolarHBondContact N-O 2.81Å; V153-L168 PolarHBondContact O-N 3.37Å; L166-L168 HydrophobicContact CD1-CD2 3.96Å; L166-L168 HydrophobicContact CD2-CD1 4.18Å; L166-L168 HydrophobicContact CD2-CD2 4.02Å; L166-L168 HydrophobicContact CD2-CG 4.02Å; L166-L168 HydrophobicContact CG-CD2 4.01Å; L166-L168 HydrophobicContact CG-CG 4.07Å; L168-F181 HydrophobicContact CB-CE2 3.64Å; L168-F181 HydrophobicContact CB-CZ 4.18Å; L168-I197 HydrophobicContact CD1-CD1 3.77Å; L168-F209 HydrophobicContact CD1-CD1 4.4Å; L168-F209 HydrophobicContact CD1-CG 4.47Å
169	G	98.5	Very high	97.2	Very high	18 Å²	18	64.8 Å²	64.8	19%	0.186	35%	0.351	C	S	.	.	S	Bend	trans	88.4	172.5	-174.5	0	0	0	0	0	113.7	Q152 N179	Q152-G169 PolarHBondContact NE2-O 2.82Å; Q152-G169 VanDerWaalsContact NE2-O 3.07Å; G169-N179 WeakPolarHBondContact CA-O 3.39Å
170	E	98.1	Very high	97.3	Very high	77 Å²	77	60.9 Å²	60.9	36%	0.36	33%	0.329	S	S	.	.	B	Isolated β-bridge	trans	-113	124.2	-176.8	-72.4	-180	-120.8	0	0	110.5	F172 K173 Q180	E170-F172 PolarHBondContact O-N 3Å; E170-K173 HydrophobicContact CB-CB 3.9Å; E170-K173 HydrophobicContact CB-CD 4.24Å; E170-K173 PolarHBondContact O-N 2.84Å; E170-K173 IonicContact OE1-NZ 2.96Å; E170-K173 WeakPolarHBondContact OE2-CD 3.23Å; E170-K173 WeakPolarHBondContact OE2-CE 2.92Å; E170-K173 IonicContact OE2-NZ 3.7Å; E170-K173 PolarHBondContact OE2-NZ 2.83Å; E170-Q180 HydrophobicContact CG-CG 4.34Å; E170-Q180 WeakPolarHBondContact OE1-CG 3.41Å; E170-Q180 PolarHBondContact OE1-NE2 3.2Å
171	R	98	Very high	97.4	Very high	121 Å²	121	60.3 Å²	60.3	46%	0.457	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	120.6	-173.7	-166.5	-175.9	177.8	75.1	-1.8	111.9	F130 L150 K173	F130-R171 VanDerWaalsContact CE2-NH2 3.3Å; L150-R171 HydrophobicContact CD2-CG 3.92Å; L150-R171 WeakPolarHBondContact O-CA 3.5Å; R171-K173 PolarHBondContact O-N 2.9Å
172	F	98	Very high	97.6	Very high	29 Å²	29	58.5 Å²	58.5	13%	0.127	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.2	21.2	-179	-57.3	-65.5	0	0	0	115	Y99 K103 F130 A149 L150 E170	Y99-F172 HydrophobicContact CD1-CD1 4.28Å; Y99-F172 AromaticContact CD1-CE1 3.93Å; Y99-F172 HydrophobicContact CD1-CE1 3.93Å; Y99-F172 HydrophobicContact CE1-CE1 4.46Å; K103-F172 HydrophobicContact CB-CE1 4.4Å; K103-F172 HydrophobicContact CB-CE2 4.01Å; K103-F172 HydrophobicContact CB-CZ 3.92Å; K103-F172 HydrophobicContact CD-CB 4.33Å; K103-F172 HydrophobicContact CD-CD1 4.11Å; K103-F172 HydrophobicContact CD-CD2 4.03Å; K103-F172 HydrophobicContact CD-CE1 4.37Å; K103-F172 HydrophobicContact CD-CE2 4.3Å; K103-F172 HydrophobicContact CD-CG 3.94Å; K103-F172 HydrophobicContact CD-CZ 4.46Å; K103-F172 HydrophobicContact CG-CD1 4.16Å; K103-F172 HydrophobicContact CG-CD2 4.4Å; K103-F172 HydrophobicContact CG-CE1 3.93Å; K103-F172 HydrophobicContact CG-CE2 4.19Å; K103-F172 HydrophobicContact CG-CG 4.39Å; K103-F172 HydrophobicContact CG-CZ 3.95Å; F130-F172 HydrophobicContact CD1-CE1 4.13Å; F130-F172 HydrophobicContact CD1-CZ 4.13Å; F130-F172 HydrophobicContact CD2-CE1 4.27Å; F130-F172 AromaticContact CD2-CZ 3.97Å; F130-F172 HydrophobicContact CD2-CZ 3.97Å; F130-F172 HydrophobicContact CE1-CE1 4.33Å; F130-F172 AromaticContact CE1-CZ 3.9Å; F130-F172 HydrophobicContact CE1-CZ 3.9Å; F130-F172 HydrophobicContact CE2-CE1 4.47Å; F130-F172 AromaticContact CE2-CZ 3.75Å; F130-F172 HydrophobicContact CE2-CZ 3.75Å; F130-F172 HydrophobicContact CG-CE1 4.11Å; F130-F172 HydrophobicContact CG-CZ 4.17Å; F130-F172 AromaticContact CZ-CZ 3.71Å; F130-F172 HydrophobicContact CZ-CZ 3.71Å; A149-F172 WeakPolarHBondContact O-CD1 3.09Å; L150-F172 HydrophobicContact CD2-CD1 3.93Å; L150-F172 HydrophobicContact CD2-CD2 4.42Å; L150-F172 HydrophobicContact CD2-CE1 3.45Å; L150-F172 VanDerWaalsContact CD2-CE1 3.45Å; L150-F172 HydrophobicContact CD2-CE2 3.99Å; L150-F172 HydrophobicContact CD2-CG 4.38Å; L150-F172 HydrophobicContact CD2-CZ 3.48Å; L150-F172 VanDerWaalsContact CD2-CZ 3.48Å; L150-F172 PolarHBondContact O-N 3.35Å; E170-F172 PolarHBondContact O-N 3Å
173	K	98	Very high	97.9	Very high	100 Å²	100	55.5 Å²	55.5	44%	0.435	29%	0.29	S	S	.	.	B	Isolated β-bridge	trans	-123.3	98.6	179.3	-174	177.1	167.3	-164.8	0	110.1	E170 R171 Q180	E170-K173 HydrophobicContact CB-CB 3.9Å; E170-K173 HydrophobicContact CB-CD 4.24Å; E170-K173 PolarHBondContact O-N 2.84Å; E170-K173 IonicContact OE1-NZ 2.96Å; E170-K173 WeakPolarHBondContact OE2-CD 3.23Å; E170-K173 WeakPolarHBondContact OE2-CE 2.92Å; E170-K173 IonicContact OE2-NZ 3.7Å; E170-K173 PolarHBondContact OE2-NZ 2.83Å; R171-K173 PolarHBondContact O-N 2.9Å; K173-Q180 VanDerWaalsContact CE-NE2 3.33Å
174	P	98.3	Very high	98	Very high	25 Å²	25	49.3 Å²	49.3	16%	0.162	26%	0.262	C	S	.	.			trans	-65.9	147.1	174.1	28.4	-32.8	0	0	0	110	Q96 N97 H151 F181 C182	Q96-P174 WeakPolarHBondContact O-CG 3.37Å; N97-P174 HydrophobicContact CB-CB 4.01Å; N97-P174 HydrophobicContact CB-CG 4.11Å; H151-P174 VanDerWaalsContact CD2-N 3.29Å; P174-F181 WeakPolarHBondContact CA-O 3.42Å; P174-C182 HydrophobicContact CB-CB 4.12Å
175	G	98.2	Very high	98	Very high	15 Å²	15	47.9 Å²	47.9	16%	0.155	25%	0.252	C	S	.	.			trans	-168.5	166.6	174.1	0	0	0	0	0	112.7	F181 C182 N203	G175-F181 PolarHBondContact N-O 3.01Å; G175-F181 CarbonylContact O-C 3.58Å; G175-C182 PolarHBondContact O-N 2.8Å; G175-N203 PolarHBondContact O-ND2 3.27Å
176	S	97.6	Very high	98.1	Very high	82 Å²	82	43.1 Å²	43.1	57%	0.573	23%	0.227	S	C	*	.			trans	-114.8	7.8	-179.7	60.5	0	0	0	0	112.8	N203 R205	S176-N203 VanDerWaalsContact CB-OD1 3.29Å; S176-N203 WeakPolarHBondContact CB-OD1 3.4Å; S176-R205 PolarHBondContact O-NH1 2.88Å; S176-R205 PolarHBondContact O-NH2 2.93Å
177	S	97.5	Very high	98.1	Very high	52 Å²	52	41.4 Å²	41.4	36%	0.364	22%	0.218	S	C	.	.	S	Bend	trans	-71.5	173	176.4	74.9	0	0	0	0	111.7	N179 Q180 R205	S177-N179 PolarHBondContact O-N 2.89Å; S177-Q180 PolarHBondContact O-N 3Å; S177-Q180 WeakPolarHBondContact OG-CB 3.45Å; S177-Q180 VanDerWaalsContact OG-CD 3.29Å; S177-Q180 WeakPolarHBondContact OG-CG 3.36Å; S177-Q180 PolarHBondContact OG-OE1 2.61Å; S177-R205 PolarHBondContact O-NH2 2.81Å
178	K	96.2	Very high	98.1	Very high	125 Å²	125	39.1 Å²	39.1	54%	0.543	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-18.1	180	63.8	174	-176.1	177.4	0	115	M207 F215	K178-M207 WeakPolarHBondContact O-CE 3.49Å; K178-F215 HydrophobicContact CB-CB 4.37Å; K178-F215 HydrophobicContact CB-CD1 3.86Å; K178-F215 HydrophobicContact CB-CD2 4.08Å; K178-F215 HydrophobicContact CB-CE1 4.12Å; K178-F215 HydrophobicContact CB-CE2 4.33Å; K178-F215 HydrophobicContact CB-CG 3.83Å; K178-F215 HydrophobicContact CB-CZ 4.34Å; K178-F215 HydrophobicContact CD-CD1 4.15Å
179	N	95.4	Very high	98.1	Very high	93 Å²	93	39 Å²	39	50%	0.497	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.9	6.8	-177.5	-64.6	-19	0	0	0	112.5	G169 S177	G169-N179 WeakPolarHBondContact CA-O 3.39Å; S177-N179 PolarHBondContact O-N 2.89Å
180	Q	98.1	Very high	98.1	Very high	27 Å²	27	38.1 Å²	38.1	13%	0.126	20%	0.195	C	C	.	.			trans	-124.5	150.9	179.9	-70.7	168.3	-33.3	0	0	109	E170 K173 S177 R205	E170-Q180 HydrophobicContact CG-CG 4.34Å; E170-Q180 WeakPolarHBondContact OE1-CG 3.41Å; E170-Q180 PolarHBondContact OE1-NE2 3.2Å; K173-Q180 VanDerWaalsContact CE-NE2 3.33Å; S177-Q180 PolarHBondContact O-N 3Å; S177-Q180 WeakPolarHBondContact OG-CB 3.45Å; S177-Q180 VanDerWaalsContact OG-CD 3.29Å; S177-Q180 WeakPolarHBondContact OG-CG 3.36Å; S177-Q180 PolarHBondContact OG-OE1 2.61Å; Q180-R205 PolarHBondContact O-NH2 3.34Å
181	F	98.7	Very high	98	Very high	1 Å²	1	38.3 Å²	38.3	0%	0.004	21%	0.205	C	C	.	.			trans	-117.7	163.3	171.4	-57.3	-77.4	0	0	0	109	V153 L168 P174 G175 P184 I197 D199 M207 F209	V153-F181 HydrophobicContact CG2-CD2 4.29Å; V153-F181 HydrophobicContact CG2-CE2 4.08Å; V153-F181 HydrophobicContact CG2-CZ 4.33Å; L168-F181 HydrophobicContact CB-CE2 3.64Å; L168-F181 HydrophobicContact CB-CZ 4.18Å; P174-F181 WeakPolarHBondContact CA-O 3.42Å; G175-F181 PolarHBondContact N-O 3.01Å; G175-F181 CarbonylContact O-C 3.58Å; F181-P184 HydrophobicContact CB-CB 4.03Å; F181-P184 HydrophobicContact CB-CG 3.84Å; F181-P184 HydrophobicContact CD1-CB 4.21Å; F181-P184 HydrophobicContact CG-CB 4.1Å; F181-P184 HydrophobicContact CG-CG 4.14Å; F181-I197 HydrophobicContact CD1-CG2 4.23Å; F181-I197 HydrophobicContact CE1-CB 4.26Å; F181-I197 HydrophobicContact CE1-CD1 4.12Å; F181-I197 HydrophobicContact CE1-CG2 3.75Å; F181-I197 HydrophobicContact CZ-CD1 3.7Å; F181-I197 HydrophobicContact CZ-CG2 4.31Å; F181-D199 HydrophobicContact CD1-CB 4.15Å; F181-M207 HydrophobicContact CD1-SD 3.89Å; F181-M207 HydrophobicContact CE1-CE 4.48Å; F181-M207 HydrophobicContact CE1-SD 3.53Å; F181-M207 VanDerWaalsContact CE1-SD 3.53Å; F181-F209 HydrophobicContact CE1-CE2 4.2Å; F181-F209 HydrophobicContact CE1-CZ 4.07Å; F181-F209 AromaticContact CZ-CE2 4Å; F181-F209 HydrophobicContact CZ-CE2 4Å; F181-F209 AromaticContact CZ-CZ 3.68Å; F181-F209 HydrophobicContact CZ-CZ 3.68Å
182	C	98.6	Very high	97.8	Very high	5 Å²	5	35.6 Å²	35.6	3%	0.034	20%	0.2	C	C	.	.	S	Bend	trans	-128.7	97.6	163.5	-174.8	0	0	0	0	106.6	N97 P174 G175 D199 C202 N203	N97-C182 VanDerWaalsContact CB-SG 3.56Å; P174-C182 HydrophobicContact CB-CB 4.12Å; G175-C182 PolarHBondContact O-N 2.8Å; C182-D199 PolarHBondContact N-OD1 2.93Å; C182-D199 VanDerWaalsContact O-OD1 3.1Å; C182-C202 HydrophobicContact CB-CB 3.42Å; C182-C202 VanDerWaalsContact CB-CB 3.42Å; C182-C202 WeakPolarHBondContact CB-SG 3.5Å; C182-C202 PolarHBondContact O-SG 3.27Å; C182-C202 WeakPolarHBondContact SG-CB 3.16Å; C182-C202 CovalentContact SG-SG 2.03Å; C182-C202 PolarHBondContact SG-SG 2.69Å; C182-N203 WeakPolarHBondContact CB-ND2 3.18Å; C182-N203 PolarHBondContact N-ND2 3.26Å
183	K	98.4	Very high	97.7	Very high	17 Å²	17	35 Å²	35	7%	0.074	20%	0.202	C	C	.	.	S	Bend	trans	59.8	64.6	177.6	-58.6	-176.9	-176.9	149.5	0	110.8	W88 F93 N97 V148 H151 Y201	W88-K183 HydrophobicContact CH2-CD 4.35Å; W88-K183 HydrophobicContact CZ2-CD 4.01Å; F93-K183 VanDerWaalsContact CD1-CE 3.46Å; F93-K183 HydrophobicContact CE1-CD 4.47Å; F93-K183 HydrophobicContact CE2-CD 4.35Å; F93-K183 VanDerWaalsContact CG-CE 3.46Å; F93-K183 HydrophobicContact CZ-CD 4.28Å; F93-K183 HydrophobicContact CZ-CG 4.45Å; N97-K183 PolarHBondContact OD1-NZ 2.84Å; V148-K183 HydrophobicContact CG1-CB 3.46Å; V148-K183 VanDerWaalsContact CG1-CB 3.46Å; V148-K183 HydrophobicContact CG1-CD 3.83Å; V148-K183 HydrophobicContact CG1-CG 3.57Å; H151-K183 PolarHBondContact ND1-N 3.3Å; K183-Y201 HydrophobicContact CB-CD2 4.09Å; K183-Y201 HydrophobicContact CB-CG 4.28Å; K183-Y201 WeakPolarHBondContact O-CD2 3.39Å
184	P	98.7	Very high	97.7	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.19	C	C	.	.			trans	-63	141.9	179.5	28.4	-32.4	0	0	0	110.4	T146 V153 F181 I197 S198	T146-P184 WeakPolarHBondContact CB-O 3.37Å; T146-P184 HydrophobicContact CG2-CB 4.32Å; T146-P184 PolarHBondContact OG1-O 2.78Å; V153-P184 HydrophobicContact CG2-CB 3.87Å; V153-P184 HydrophobicContact CG2-CG 3.8Å; F181-P184 HydrophobicContact CB-CB 4.03Å; F181-P184 HydrophobicContact CB-CG 3.84Å; F181-P184 HydrophobicContact CD1-CB 4.21Å; F181-P184 HydrophobicContact CG-CB 4.1Å; F181-P184 HydrophobicContact CG-CG 4.14Å; P184-I197 HydrophobicContact CB-CG2 4.14Å; P184-S198 CarbonylContact C-O 3.57Å; P184-S198 WeakPolarHBondContact CA-O 3.44Å
185	T	98.7	Very high	97.7	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.183	C	C	.	.			trans	-98.7	-51.2	-169	48.1	0	0	0	0	111.8	H133 G134 T146 S198 Y201 L236 P237 H238	H133-T185 PolarHBondContact ND1-O 2.89Å; G134-T185 VanDerWaalsContact CA-O 3.28Å; G134-T185 WeakPolarHBondContact CA-O 3.1Å; G134-T185 PolarHBondContact N-O 3.23Å; T146-T185 PolarHBondContact OG1-O 2.82Å; T185-S198 PolarHBondContact N-O 3.39Å; T185-S198 WeakPolarHBondContact OG1-CB 3.28Å; T185-S198 PolarHBondContact OG1-O 3.03Å; T185-S198 VanDerWaalsContact OG1-O 3.05Å; T185-S198 PolarHBondContact OG1-OG 3.24Å; T185-Y201 HydrophobicContact CG2-CD2 3.37Å; T185-Y201 HydrophobicContact CG2-CE2 3.42Å; T185-Y201 VanDerWaalsContact CG2-CE2 3.42Å; T185-Y201 HydrophobicContact CG2-CG 4.34Å; T185-L236 HydrophobicContact CG2-CD2 4.29Å; T185-P237 PolarHBondContact OG1-O 3.06Å; T185-H238 WeakPolarHBondContact CB-O 3.45Å; T185-H238 PolarHBondContact OG1-O 3.22Å
186	D	98.8	Very high	97.7	Very high	4 Å²	4	30.3 Å²	30.3	2%	0.021	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	166	-172.1	-163.6	27.3	0	0	0	112.9	I197 S198 H238 Q239 L240	D186-I197 WeakPolarHBondContact O-CA 3.38Å; D186-S198 WeakPolarHBondContact CB-OG 3.35Å; D186-S198 PolarHBondContact N-OG 3.24Å; D186-S198 VanDerWaalsContact N-OG 3.09Å; D186-S198 PolarHBondContact O-N 3.26Å; D186-S198 PolarHBondContact O-OG 3.31Å; D186-H238 WeakPolarHBondContact CB-O 3.5Å; D186-Q239 VanDerWaalsContact OD2-CG 3.24Å; D186-Q239 WeakPolarHBondContact OD2-CG 3.47Å; D186-L240 PolarHBondContact OD2-N 3.23Å
187	V	98.8	Very high	97.8	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.006	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	137.3	178.7	-172.2	0	0	0	0	109.8	T136 W144 T146 V153 V189 V195 F196 I197	T136-V187 WeakPolarHBondContact CB-O 3.4Å; T136-V187 WeakPolarHBondContact CG2-O 3.14Å; T136-V187 PolarHBondContact OG1-O 2.66Å; W144-V187 HydrophobicContact CB-CB 4.13Å; W144-V187 HydrophobicContact CB-CG1 4.11Å; W144-V187 HydrophobicContact CB-CG2 4.43Å; W144-V187 HydrophobicContact CD2-CG1 4.09Å; W144-V187 HydrophobicContact CE3-CG1 3.9Å; W144-V187 HydrophobicContact CG-CG1 4.21Å; T146-V187 HydrophobicContact CG2-CG2 3.61Å; V153-V187 HydrophobicContact CG1-CG2 3.5Å; V187-V189 HydrophobicContact CG1-CG2 4.02Å; V187-V195 HydrophobicContact CG1-CG1 3.7Å; V187-F196 CarbonylContact C-O 3.52Å; V187-F196 VanDerWaalsContact CA-O 3.27Å; V187-F196 WeakPolarHBondContact CA-O 3.45Å; V187-I197 HydrophobicContact CG1-CG1 4.29Å; V187-I197 HydrophobicContact CG2-CG1 4.22Å
188	V	98.6	Very high	97.8	Very high	12 Å²	12	23.9 Å²	23.9	7%	0.073	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	146.6	161.1	-67.7	0	0	0	0	110	F196 L240 L242 I249	V188-F196 HydrophobicContact CG2-CB 3.78Å; V188-F196 HydrophobicContact CG2-CD2 4.26Å; V188-F196 HydrophobicContact CG2-CG 4.36Å; V188-F196 PolarHBondContact N-O 3.18Å; V188-F196 PolarHBondContact O-N 2.87Å; V188-L240 HydrophobicContact CB-CB 4.44Å; V188-L240 HydrophobicContact CG1-CB 3.75Å; V188-L240 WeakPolarHBondContact CG1-O 3.33Å; V188-L240 HydrophobicContact CG2-CB 3.9Å; V188-L240 HydrophobicContact CG2-CD1 4.25Å; V188-L242 HydrophobicContact CB-CB 4.3Å; V188-L242 HydrophobicContact CG2-CB 4.2Å; V188-I249 HydrophobicContact CG2-CD1 3.84Å; V188-I249 HydrophobicContact CG2-CG1 4.44Å
189	V	98.6	Very high	97.9	Very high	14 Å²	14	18 Å²	18	9%	0.085	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	130.1	-176.4	-174	0	0	0	0	108.5	D138 W144 V187 Q194 V195	D138-V189 HydrophobicContact CB-CB 3.66Å; D138-V189 HydrophobicContact CB-CG1 3.81Å; D138-V189 HydrophobicContact CB-CG2 4.04Å; W144-V189 HydrophobicContact CD2-CG2 4.04Å; W144-V189 HydrophobicContact CG-CG2 4.15Å; W144-V189 HydrophobicContact CZ2-CG2 4.04Å; V187-V189 HydrophobicContact CG1-CG2 4.02Å; V189-Q194 WeakPolarHBondContact CA-O 3.39Å; V189-V195 HydrophobicContact CG1-CG2 4.24Å; V189-V195 HydrophobicContact CG2-CG1 4.28Å; V189-V195 HydrophobicContact CG2-CG2 4.19Å
190	S	97.6	Very high	98	Very high	1 Å²	1	13.5 Å²	13.5	1%	0.007	8%	0.081	C	C	.	.			trans	-81.5	165	177.7	57.8	0	0	0	0	112.6	N192 G193 Q194 E244	S190-N192 WeakPolarHBondContact CB-OD1 3.4Å; S190-N192 PolarHBondContact O-N 3.03Å; S190-N192 PolarHBondContact OG-OD1 2.99Å; S190-G193 WeakPolarHBondContact O-CA 3.5Å; S190-G193 PolarHBondContact O-N 2.79Å; S190-Q194 PolarHBondContact N-O 2.99Å; S190-Q194 WeakPolarHBondContact OG-CA 3.34Å; S190-Q194 WeakPolarHBondContact OG-CB 3.48Å; S190-Q194 PolarHBondContact OG-N 2.89Å; S190-Q194 PolarHBondContact OG-O 3.4Å; S190-E244 WeakPolarHBondContact CA-OE1 3.19Å
191	S	96.7	Very high	97.9	Very high	80 Å²	80	14.9 Å²	14.9	56%	0.559	9%	0.085	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-26.4	174.3	64.2	0	0	0	0	114.2	G193 E244	S191-G193 VanDerWaalsContact C-N 3.3Å; S191-E244 VanDerWaalsContact CB-OE2 3.25Å; S191-E244 WeakPolarHBondContact CB-OE2 3.24Å; S191-E244 PolarHBondContact N-OE1 2.99Å; S191-E244 PolarHBondContact N-OE2 2.85Å; S191-E244 PolarHBondContact OG-OE2 3.36Å
192	N	94	Very high	97.8	Very high	65 Å²	65	16.4 Å²	16.4	35%	0.348	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	13.8	173	70.7	3.6	0	0	0	113.5	S190 Q194 L266	S190-N192 WeakPolarHBondContact CB-OD1 3.4Å; S190-N192 PolarHBondContact O-N 3.03Å; S190-N192 PolarHBondContact OG-OD1 2.99Å; N192-Q194 VanDerWaalsContact C-N 3.3Å; N192-Q194 PolarHBondContact O-N 3.49Å; N192-Q194 WeakPolarHBondContact OD1-CG 2.92Å; N192-Q194 PolarHBondContact OD1-N 2.68Å; N192-L266 PolarHBondContact ND2-O 3.37Å
193	G	96.4	Very high	97.8	Very high	17 Å²	17	17.8 Å²	17.8	18%	0.175	10%	0.103	C	C	.	.			trans	76.5	7	174	0	0	0	0	0	115.3	S190 S191 E211	S190-G193 WeakPolarHBondContact O-CA 3.5Å; S190-G193 PolarHBondContact O-N 2.79Å; S191-G193 VanDerWaalsContact C-N 3.3Å; G193-E211 WeakPolarHBondContact O-CA 3.3Å; G193-E211 WeakPolarHBondContact O-CB 3.33Å; G193-E211 PolarHBondContact O-N 2.93Å
194	Q	97	Very high	97.7	Very high	39 Å²	39	17.7 Å²	17.7	18%	0.182	10%	0.103	C	C	.	.			trans	-70.7	138.1	172.7	-63.2	179.8	-0.4	0	0	110.2	V189 S190 N192 F196 K208 L266	V189-Q194 WeakPolarHBondContact CA-O 3.39Å; S190-Q194 PolarHBondContact N-O 2.99Å; S190-Q194 WeakPolarHBondContact OG-CA 3.34Å; S190-Q194 WeakPolarHBondContact OG-CB 3.48Å; S190-Q194 PolarHBondContact OG-N 2.89Å; S190-Q194 PolarHBondContact OG-O 3.4Å; N192-Q194 VanDerWaalsContact C-N 3.3Å; N192-Q194 PolarHBondContact O-N 3.49Å; N192-Q194 WeakPolarHBondContact OD1-CG 2.92Å; N192-Q194 PolarHBondContact OD1-N 2.68Å; Q194-F196 HydrophobicContact CB-CE2 4.16Å; Q194-K208 VanDerWaalsContact CD-CE 3.49Å; Q194-L266 HydrophobicContact CB-CD2 4.37Å
195	V	98.5	Very high	97.7	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.006	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	129.7	-171.8	-177.6	0	0	0	0	108.9	W144 V187 V189 I197 K208 F209	W144-V195 HydrophobicContact CE3-CG1 4.33Å; W144-V195 HydrophobicContact CH2-CB 4.36Å; W144-V195 HydrophobicContact CH2-CG1 3.92Å; W144-V195 HydrophobicContact CH2-CG2 3.53Å; W144-V195 HydrophobicContact CZ2-CG2 3.78Å; W144-V195 HydrophobicContact CZ3-CG1 3.81Å; W144-V195 HydrophobicContact CZ3-CG2 4.29Å; V187-V195 HydrophobicContact CG1-CG1 3.7Å; V189-V195 HydrophobicContact CG1-CG2 4.24Å; V189-V195 HydrophobicContact CG2-CG1 4.28Å; V189-V195 HydrophobicContact CG2-CG2 4.19Å; V195-I197 HydrophobicContact CG1-CD1 4.24Å; V195-I197 HydrophobicContact CG1-CG1 4.02Å; V195-K208 CarbonylContact O-C 3.6Å; V195-K208 WeakPolarHBondContact O-CA 3.39Å; V195-F209 HydrophobicContact CB-CB 4.25Å; V195-F209 PolarHBondContact N-O 3.46Å; V195-F209 PolarHBondContact O-N 2.78Å
196	F	98.8	Very high	97.7	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	133.6	175.1	-55.9	-99.2	0	0	0	109.2	V187 V188 Q194 M207 K208 W219 L240 L242 I249 A264 L266 T274	V187-F196 CarbonylContact C-O 3.52Å; V187-F196 VanDerWaalsContact CA-O 3.27Å; V187-F196 WeakPolarHBondContact CA-O 3.45Å; V188-F196 HydrophobicContact CG2-CB 3.78Å; V188-F196 HydrophobicContact CG2-CD2 4.26Å; V188-F196 HydrophobicContact CG2-CG 4.36Å; V188-F196 PolarHBondContact N-O 3.18Å; V188-F196 PolarHBondContact O-N 2.87Å; Q194-F196 HydrophobicContact CB-CE2 4.16Å; F196-M207 CarbonylContact C-O 3.25Å; F196-M207 VanDerWaalsContact CA-O 3.27Å; F196-M207 WeakPolarHBondContact CA-O 3.43Å; F196-K208 HydrophobicContact CD1-CB 4.09Å; F196-K208 HydrophobicContact CD1-CD 4.37Å; F196-K208 HydrophobicContact CD1-CG 4.1Å; F196-K208 HydrophobicContact CE1-CB 4.16Å; F196-K208 HydrophobicContact CE1-CD 3.61Å; F196-K208 HydrophobicContact CE1-CG 3.81Å; F196-K208 HydrophobicContact CZ-CD 3.95Å; F196-K208 HydrophobicContact CZ-CG 4.23Å; F196-W219 AromaticContact CD1-CH2 3.91Å; F196-W219 HydrophobicContact CD1-CH2 3.91Å; F196-W219 HydrophobicContact CE1-CH2 4.18Å; F196-L240 HydrophobicContact CB-CD1 4.38Å; F196-L242 HydrophobicContact CE2-CD1 4.39Å; F196-I249 HydrophobicContact CB-CD1 3.5Å; F196-I249 VanDerWaalsContact CB-CD1 3.5Å; F196-I249 HydrophobicContact CD1-CD1 3.72Å; F196-I249 HydrophobicContact CD2-CD1 4.36Å; F196-I249 HydrophobicContact CE1-CD1 4.5Å; F196-I249 HydrophobicContact CG-CD1 3.61Å; F196-A264 HydrophobicContact CE1-CB 4.31Å; F196-A264 WeakPolarHBondContact CE1-O 3.46Å; F196-A264 HydrophobicContact CZ-CB 3.9Å; F196-A264 WeakPolarHBondContact CZ-O 3.25Å; F196-L266 HydrophobicContact CE2-CD2 3.88Å; F196-L266 HydrophobicContact CZ-CD2 3.89Å; F196-T274 HydrophobicContact CE1-CG2 4.3Å
197	I	98.9	Very high	97.7	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	128.4	-175.8	-58.1	177.1	0	0	0	108.2	V153 L168 F181 P184 D186 V187 V195 I206 M207 F209	V153-I197 HydrophobicContact CB-CD1 4.17Å; V153-I197 HydrophobicContact CG1-CD1 4.04Å; V153-I197 HydrophobicContact CG2-CD1 4Å; V153-I197 HydrophobicContact CG2-CG2 3.98Å; L168-I197 HydrophobicContact CD1-CD1 3.77Å; F181-I197 HydrophobicContact CD1-CG2 4.23Å; F181-I197 HydrophobicContact CE1-CB 4.26Å; F181-I197 HydrophobicContact CE1-CD1 4.12Å; F181-I197 HydrophobicContact CE1-CG2 3.75Å; F181-I197 HydrophobicContact CZ-CD1 3.7Å; F181-I197 HydrophobicContact CZ-CG2 4.31Å; P184-I197 HydrophobicContact CB-CG2 4.14Å; D186-I197 WeakPolarHBondContact O-CA 3.38Å; V187-I197 HydrophobicContact CG1-CG1 4.29Å; V187-I197 HydrophobicContact CG2-CG1 4.22Å; V195-I197 HydrophobicContact CG1-CD1 4.24Å; V195-I197 HydrophobicContact CG1-CG1 4.02Å; I197-I206 CarbonylContact O-C 3.55Å; I197-I206 WeakPolarHBondContact O-CA 3.49Å; I197-M207 PolarHBondContact N-O 2.91Å; I197-M207 PolarHBondContact O-N 2.77Å; I197-F209 HydrophobicContact CB-CE2 4.41Å; I197-F209 HydrophobicContact CD1-CD2 3.88Å; I197-F209 HydrophobicContact CD1-CE2 3.68Å; I197-F209 HydrophobicContact CD1-CZ 4.49Å; I197-F209 HydrophobicContact CG1-CD2 4.3Å; I197-F209 HydrophobicContact CG1-CE2 4.22Å
198	S	98.9	Very high	97.7	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	123.6	168.6	48.6	0	0	0	0	109.4	P184 T185 D186 P237	P184-S198 CarbonylContact C-O 3.57Å; P184-S198 WeakPolarHBondContact CA-O 3.44Å; T185-S198 PolarHBondContact N-O 3.39Å; T185-S198 WeakPolarHBondContact OG1-CB 3.28Å; T185-S198 PolarHBondContact OG1-O 3.03Å; T185-S198 VanDerWaalsContact OG1-O 3.05Å; T185-S198 PolarHBondContact OG1-OG 3.24Å; D186-S198 WeakPolarHBondContact CB-OG 3.35Å; D186-S198 PolarHBondContact N-OG 3.24Å; D186-S198 VanDerWaalsContact N-OG 3.09Å; D186-S198 PolarHBondContact O-N 3.26Å; D186-S198 PolarHBondContact O-OG 3.31Å; S198-P237 WeakPolarHBondContact CB-O 3.45Å
199	D	98.6	Very high	97.6	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	66.3	-179	-169.1	13.5	0	0	0	108.6	F181 C182 N203 N204 R205 M207	F181-D199 HydrophobicContact CD1-CB 4.15Å; C182-D199 PolarHBondContact N-OD1 2.93Å; C182-D199 VanDerWaalsContact O-OD1 3.1Å; D199-N203 HydrophobicContact CB-CB 4.29Å; D199-N203 VanDerWaalsContact CG-ND2 3.33Å; D199-N203 CarbonylContact O-C 3.46Å; D199-N203 WeakPolarHBondContact O-CB 3.39Å; D199-N203 PolarHBondContact O-N 3.23Å; D199-N203 PolarHBondContact OD1-ND2 2.85Å; D199-N203 WeakPolarHBondContact OD2-CB 3.46Å; D199-N203 PolarHBondContact OD2-ND2 2.73Å; D199-N204 PolarHBondContact O-N 2.98Å; D199-N204 VanDerWaalsContact O-N 3.16Å; D199-R205 HydrophobicContact CB-CG 3.82Å; D199-R205 PolarHBondContact N-O 2.83Å; D199-R205 IonicContact OD2-CZ 2.73Å; D199-R205 IonicContact OD2-NE 3.01Å; D199-R205 PolarHBondContact OD2-NE 3.19Å; D199-R205 IonicContact OD2-NH2 3.48Å; D199-R205 PolarHBondContact OD2-NH2 3.23Å; D199-M207 HydrophobicContact CB-SD 4.46Å
200	G	96.1	Very high	97.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-85.3	-42	-151.9	0	0	0	0	0	116.4	C202 L236	G200-C202 PolarHBondContact O-N 2.84Å; G200-L236 WeakPolarHBondContact O-CA 3.46Å
201	Y	96	Very high	97.4	Very high	56 Å²	56	25.2 Å²	25.2	22%	0.22	14%	0.136	C	C	.	.	H	α-helix	trans	-72.1	-26.9	-167.5	-76.8	-79.4	0	0	0	114.6	W88 H133 K183 T185 L236 H238	W88-Y201 AromaticContact CH2-CD1 3.54Å; W88-Y201 HydrophobicContact CH2-CD1 3.54Å; W88-Y201 AromaticContact CH2-CD2 3.52Å; W88-Y201 HydrophobicContact CH2-CD2 3.52Å; W88-Y201 AromaticContact CH2-CE1 3.34Å; W88-Y201 HydrophobicContact CH2-CE1 3.34Å; W88-Y201 AromaticContact CH2-CE2 3.31Å; W88-Y201 HydrophobicContact CH2-CE2 3.31Å; W88-Y201 AromaticContact CH2-CG 3.63Å; W88-Y201 HydrophobicContact CH2-CG 3.63Å; W88-Y201 AromaticContact CH2-CZ 3.24Å; W88-Y201 HydrophobicContact CZ2-CD1 4.13Å; W88-Y201 HydrophobicContact CZ2-CE1 4.14Å; W88-Y201 HydrophobicContact CZ2-CG 4.37Å; W88-Y201 HydrophobicContact CZ3-CD1 4.44Å; W88-Y201 HydrophobicContact CZ3-CD2 4.13Å; W88-Y201 AromaticContact CZ3-CE1 3.83Å; W88-Y201 HydrophobicContact CZ3-CE1 3.83Å; W88-Y201 AromaticContact CZ3-CE2 3.45Å; W88-Y201 HydrophobicContact CZ3-CE2 3.45Å; W88-Y201 VanDerWaalsContact CZ3-CE2 3.45Å; W88-Y201 AromaticContact CZ3-CZ 3.3Å; W88-Y201 WeakPolarHBondContact CZ3-OH 3.19Å; H133-Y201 AromaticContact CD2-CE2 3.9Å; H133-Y201 AromaticContact NE2-CE2 3.46Å; H133-Y201 WeakPolarHBondContact NE2-CE2 3.14Å; H133-Y201 AromaticContact NE2-CZ 3.63Å; H133-Y201 PolarHBondContact NE2-OH 2.81Å; K183-Y201 HydrophobicContact CB-CD2 4.09Å; K183-Y201 HydrophobicContact CB-CG 4.28Å; K183-Y201 WeakPolarHBondContact O-CD2 3.39Å; T185-Y201 HydrophobicContact CG2-CD2 3.37Å; T185-Y201 HydrophobicContact CG2-CE2 3.42Å; T185-Y201 VanDerWaalsContact CG2-CE2 3.42Å; T185-Y201 HydrophobicContact CG2-CG 4.34Å; Y201-L236 HydrophobicContact CD1-CD1 3.88Å; Y201-L236 HydrophobicContact CD1-CD2 4.2Å; Y201-L236 HydrophobicContact CD1-CG 3.96Å; Y201-L236 HydrophobicContact CE1-CD1 3.76Å; Y201-L236 HydrophobicContact CE1-CD2 4.05Å; Y201-L236 HydrophobicContact CE1-CG 4.13Å; Y201-L236 HydrophobicContact CG-CG 4.48Å; Y201-H238 PolarHBondContact OH-NE2 2.76Å
202	C	96.7	Very high	97.4	Very high	33 Å²	33	28 Å²	28	22%	0.223	14%	0.138	C	C	.	.	H	α-helix	trans	-122.6	-30.1	177.3	-23.6	0	0	0	0	114.3	C182 G200	C182-C202 HydrophobicContact CB-CB 3.42Å; C182-C202 VanDerWaalsContact CB-CB 3.42Å; C182-C202 WeakPolarHBondContact CB-SG 3.5Å; C182-C202 PolarHBondContact O-SG 3.27Å; C182-C202 WeakPolarHBondContact SG-CB 3.16Å; C182-C202 CovalentContact SG-SG 2.03Å; C182-C202 PolarHBondContact SG-SG 2.69Å; G200-C202 PolarHBondContact O-N 2.84Å
203	N	98.1	Very high	97.5	Very high	33 Å²	33	25.6 Å²	25.6	18%	0.176	13%	0.128	C	C	.	.	H	α-helix	trans	-105.3	-9	-167.1	-69.4	-33.4	0	0	0	113.9	G175 S176 C182 D199 R205	G175-N203 PolarHBondContact O-ND2 3.27Å; S176-N203 VanDerWaalsContact CB-OD1 3.29Å; S176-N203 WeakPolarHBondContact CB-OD1 3.4Å; C182-N203 WeakPolarHBondContact CB-ND2 3.18Å; C182-N203 PolarHBondContact N-ND2 3.26Å; D199-N203 HydrophobicContact CB-CB 4.29Å; D199-N203 VanDerWaalsContact CG-ND2 3.33Å; D199-N203 CarbonylContact O-C 3.46Å; D199-N203 WeakPolarHBondContact O-CB 3.39Å; D199-N203 PolarHBondContact O-N 3.23Å; D199-N203 PolarHBondContact OD1-ND2 2.85Å; D199-N203 WeakPolarHBondContact OD2-CB 3.46Å; D199-N203 PolarHBondContact OD2-ND2 2.73Å; N203-R205 HydrophobicContact CB-CG 3.88Å; N203-R205 PolarHBondContact O-N 3.49Å; N203-R205 VanDerWaalsContact O-N 3.15Å
204	N	98.4	Very high	97.5	Very high	16 Å²	16	30.1 Å²	30.1	9%	0.086	15%	0.145	C	C	.	.			trans	48.2	43.4	174.6	-61.1	-60.6	0	0	0	113.4	D199 G220 Y221 E222 L234 N235 L236	D199-N204 PolarHBondContact O-N 2.98Å; D199-N204 VanDerWaalsContact O-N 3.16Å; N204-G220 CarbonylContact O-C 3.44Å; N204-G220 VanDerWaalsContact O-C 3.25Å; N204-Y221 PolarHBondContact O-N 3.4Å; N204-E222 HydrophobicContact CB-CB 4.45Å; N204-L234 HydrophobicContact CB-CB 4.35Å; N204-N235 WeakPolarHBondContact OD1-CA 3.17Å; N204-L236 PolarHBondContact OD1-N 3.2Å; N204-L236 VanDerWaalsContact OD1-N 3.14Å
205	R	98.6	Very high	97.5	Very high	24 Å²	24	31.1 Å²	31.1	9%	0.091	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	157.5	-172.6	67.9	-178.5	-179.7	174.2	-0.5	112.7	S176 S177 Q180 D199 N203 M207 W219	S176-R205 PolarHBondContact O-NH1 2.88Å; S176-R205 PolarHBondContact O-NH2 2.93Å; S177-R205 PolarHBondContact O-NH2 2.81Å; Q180-R205 PolarHBondContact O-NH2 3.34Å; D199-R205 HydrophobicContact CB-CG 3.82Å; D199-R205 PolarHBondContact N-O 2.83Å; D199-R205 IonicContact OD2-CZ 2.73Å; D199-R205 IonicContact OD2-NE 3.01Å; D199-R205 PolarHBondContact OD2-NE 3.19Å; D199-R205 IonicContact OD2-NH2 3.48Å; D199-R205 PolarHBondContact OD2-NH2 3.23Å; N203-R205 HydrophobicContact CB-CG 3.88Å; N203-R205 PolarHBondContact O-N 3.49Å; N203-R205 VanDerWaalsContact O-N 3.15Å; R205-M207 HydrophobicContact CG-CG 4.22Å; R205-M207 PolarHBondContact NE-SD 3.27Å; R205-M207 VanDerWaalsContact NE-SD 3.43Å; R205-M207 PolarHBondContact NH2-SD 2.98Å; R205-M207 VanDerWaalsContact NH2-SD 3.41Å; R205-W219 CarbonylContact C-O 3.57Å; R205-W219 VanDerWaalsContact CA-O 3.29Å; R205-W219 WeakPolarHBondContact CA-O 3.4Å; R205-W219 WeakPolarHBondContact CB-O 3.18Å
206	I	98.7	Very high	97.4	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	141.4	164.9	-48.5	-51.7	0	0	0	108.3	I197 S218 W219 L234 P237 L240 I249 V251	I197-I206 CarbonylContact O-C 3.55Å; I197-I206 WeakPolarHBondContact O-CA 3.49Å; I206-S218 CarbonylContact O-C 3.5Å; I206-S218 WeakPolarHBondContact O-CA 3.44Å; I206-S218 VanDerWaalsContact O-CB 3.31Å; I206-S218 WeakPolarHBondContact O-CB 3.28Å; I206-W219 HydrophobicContact CB-CD2 4.08Å; I206-W219 HydrophobicContact CB-CE3 4.38Å; I206-W219 HydrophobicContact CB-CH2 4.04Å; I206-W219 HydrophobicContact CB-CZ2 3.7Å; I206-W219 HydrophobicContact CB-CZ3 4.35Å; I206-W219 HydrophobicContact CG1-CZ2 4.24Å; I206-W219 HydrophobicContact CG2-CH2 3.53Å; I206-W219 HydrophobicContact CG2-CZ2 3.51Å; I206-W219 HydrophobicContact CG2-CZ3 4.09Å; I206-W219 PolarHBondContact N-O 3.28Å; I206-W219 PolarHBondContact O-N 3.04Å; I206-L234 HydrophobicContact CD1-CD1 4.35Å; I206-L234 HydrophobicContact CG1-CD1 4.11Å; I206-P237 HydrophobicContact CD1-CB 3.7Å; I206-P237 HydrophobicContact CD1-CG 4.12Å; I206-L240 HydrophobicContact CD1-CD2 3.84Å; I206-I249 HydrophobicContact CG2-CD1 4.44Å; I206-V251 HydrophobicContact CD1-CG1 4.06Å; I206-V251 HydrophobicContact CD1-CG2 4.15Å; I206-V251 HydrophobicContact CG1-CG2 4.14Å
207	M	98.4	Very high	97.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	139	179.6	-59.1	-175.7	72.9	0	0	110.1	K178 F181 F196 I197 D199 R205 F209 F215 K217	K178-M207 WeakPolarHBondContact O-CE 3.49Å; F181-M207 HydrophobicContact CD1-SD 3.89Å; F181-M207 HydrophobicContact CE1-CE 4.48Å; F181-M207 HydrophobicContact CE1-SD 3.53Å; F181-M207 VanDerWaalsContact CE1-SD 3.53Å; F196-M207 CarbonylContact C-O 3.25Å; F196-M207 VanDerWaalsContact CA-O 3.27Å; F196-M207 WeakPolarHBondContact CA-O 3.43Å; I197-M207 PolarHBondContact N-O 2.91Å; I197-M207 PolarHBondContact O-N 2.77Å; D199-M207 HydrophobicContact CB-SD 4.46Å; R205-M207 HydrophobicContact CG-CG 4.22Å; R205-M207 PolarHBondContact NE-SD 3.27Å; R205-M207 VanDerWaalsContact NE-SD 3.43Å; R205-M207 PolarHBondContact NH2-SD 2.98Å; R205-M207 VanDerWaalsContact NH2-SD 3.41Å; M207-F209 HydrophobicContact CB-CD2 4.4Å; M207-F209 HydrophobicContact CB-CE2 3.54Å; M207-F209 HydrophobicContact CB-CZ 4.16Å; M207-F209 HydrophobicContact CE-CE2 4.36Å; M207-F209 HydrophobicContact CE-CZ 3.78Å; M207-F209 HydrophobicContact SD-CZ 4.36Å; M207-F215 HydrophobicContact CE-CD2 3.66Å; M207-F215 HydrophobicContact CE-CE2 3.6Å; M207-K217 CarbonylContact C-O 3.58Å
208	K	97.7	Very high	97.2	Very high	6 Å²	6	40.5 Å²	40.5	3%	0.026	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	135.7	176.5	-177.5	177.1	179.7	165.1	0	110.2	Q194 V195 F196 L216 K217 W219 A264 G265 T274	Q194-K208 VanDerWaalsContact CD-CE 3.49Å; V195-K208 CarbonylContact O-C 3.6Å; V195-K208 WeakPolarHBondContact O-CA 3.39Å; F196-K208 HydrophobicContact CD1-CB 4.09Å; F196-K208 HydrophobicContact CD1-CD 4.37Å; F196-K208 HydrophobicContact CD1-CG 4.1Å; F196-K208 HydrophobicContact CE1-CB 4.16Å; F196-K208 HydrophobicContact CE1-CD 3.61Å; F196-K208 HydrophobicContact CE1-CG 3.81Å; F196-K208 HydrophobicContact CZ-CD 3.95Å; F196-K208 HydrophobicContact CZ-CG 4.23Å; K208-L216 HydrophobicContact CD-CD1 4.38Å; K208-L216 HydrophobicContact CG-CB 4.35Å; K208-L216 HydrophobicContact CG-CD1 4.16Å; K208-L216 PolarHBondContact O-N 3.01Å; K208-K217 PolarHBondContact N-O 3.12Å; K208-K217 PolarHBondContact O-N 2.67Å; K208-W219 HydrophobicContact CB-CZ3 4.26Å; K208-A264 PolarHBondContact NZ-O 2.86Å; K208-G265 PolarHBondContact NZ-O 2.83Å; K208-T274 HydrophobicContact CB-CG2 4.42Å; K208-T274 HydrophobicContact CD-CG2 3.57Å; K208-T274 PolarHBondContact NZ-OG1 2.94Å
209	F	97.9	Very high	97.1	Very high	3 Å²	3	41.5 Å²	41.5	1%	0.013	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	157.9	176.2	-57.5	-102	0	0	0	109.6	L168 F181 V195 I197 M207 G213 E214 F215	L168-F209 HydrophobicContact CD1-CD1 4.4Å; L168-F209 HydrophobicContact CD1-CG 4.47Å; F181-F209 HydrophobicContact CE1-CE2 4.2Å; F181-F209 HydrophobicContact CE1-CZ 4.07Å; F181-F209 AromaticContact CZ-CE2 4Å; F181-F209 HydrophobicContact CZ-CE2 4Å; F181-F209 AromaticContact CZ-CZ 3.68Å; F181-F209 HydrophobicContact CZ-CZ 3.68Å; V195-F209 HydrophobicContact CB-CB 4.25Å; V195-F209 PolarHBondContact N-O 3.46Å; V195-F209 PolarHBondContact O-N 2.78Å; I197-F209 HydrophobicContact CB-CE2 4.41Å; I197-F209 HydrophobicContact CD1-CD2 3.88Å; I197-F209 HydrophobicContact CD1-CE2 3.68Å; I197-F209 HydrophobicContact CD1-CZ 4.49Å; I197-F209 HydrophobicContact CG1-CD2 4.3Å; I197-F209 HydrophobicContact CG1-CE2 4.22Å; M207-F209 HydrophobicContact CB-CD2 4.4Å; M207-F209 HydrophobicContact CB-CE2 3.54Å; M207-F209 HydrophobicContact CB-CZ 4.16Å; M207-F209 HydrophobicContact CE-CE2 4.36Å; M207-F209 HydrophobicContact CE-CZ 3.78Å; M207-F209 HydrophobicContact SD-CZ 4.36Å; F209-G213 WeakPolarHBondContact CD1-O 3.43Å; F209-E214 CarbonylContact C-O 3.57Å; F209-E214 WeakPolarHBondContact CA-O 2.84Å; F209-E214 WeakPolarHBondContact CB-O 3.4Å; F209-F215 HydrophobicContact CD1-CB 4.12Å; F209-F215 HydrophobicContact CE1-CB 3.92Å; F209-F215 HydrophobicContact CE1-CD2 4.21Å; F209-F215 HydrophobicContact CZ-CD2 4.26Å
210	N	95.4	Very high	97.1	Very high	33 Å²	33	42.4 Å²	42.4	18%	0.176	21%	0.212	C	C	.	.			trans	-81.4	176.6	167.4	69.3	14.4	0	0	0	111.6	K212 G213 E214 L216	N210-K212 PolarHBondContact O-N 2.81Å; N210-K212 WeakPolarHBondContact OD1-CB 3.28Å; N210-K212 PolarHBondContact OD1-N 2.86Å; N210-G213 PolarHBondContact O-N 2.76Å; N210-G213 PolarHBondContact OD1-N 2.84Å; N210-E214 PolarHBondContact N-O 3.49Å; N210-E214 PolarHBondContact ND2-OE2 2.75Å; N210-E214 WeakPolarHBondContact OD1-CB 3.46Å; N210-E214 PolarHBondContact OD1-N 3.48Å; N210-L216 HydrophobicContact CB-CD1 4.09Å; N210-L216 HydrophobicContact CB-CD2 4.46Å; N210-L216 HydrophobicContact CB-CG 4.42Å
211	E	94.9	Very high	97.2	Very high	123 Å²	123	47.9 Å²	47.9	58%	0.575	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	-21.9	179.3	70	-168.9	-169.4	0	0	114.8	G193	G193-E211 WeakPolarHBondContact O-CA 3.3Å; G193-E211 WeakPolarHBondContact O-CB 3.33Å; G193-E211 PolarHBondContact O-N 2.93Å
212	K	96.5	Very high	97.3	Very high	140 Å²	140	51.8 Å²	51.8	61%	0.609	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-4.3	178.7	-60	-179.4	-176.5	171.9	0	112.9	N210 E214	N210-K212 PolarHBondContact O-N 2.81Å; N210-K212 WeakPolarHBondContact OD1-CB 3.28Å; N210-K212 PolarHBondContact OD1-N 2.86Å; K212-E214 HydrophobicContact CB-CG 4.28Å
213	G	96.9	Very high	97.3	Very high	13 Å²	13	50.8 Å²	50.8	13%	0.134	25%	0.247	C	C	.	.			trans	82.6	17.9	-175.9	0	0	0	0	0	114.2	F209 N210	F209-G213 WeakPolarHBondContact CD1-O 3.43Å; N210-G213 PolarHBondContact O-N 2.76Å; N210-G213 PolarHBondContact OD1-N 2.84Å
214	E	97.2	Very high	97.2	Very high	112 Å²	112	58 Å²	58	52%	0.523	28%	0.277	S	S	.	.			trans	-85	131.1	176	-55.2	172.4	142.5	0	0	109.9	F209 N210 K212 L216	F209-E214 CarbonylContact C-O 3.57Å; F209-E214 WeakPolarHBondContact CA-O 2.84Å; F209-E214 WeakPolarHBondContact CB-O 3.4Å; N210-E214 PolarHBondContact N-O 3.49Å; N210-E214 PolarHBondContact ND2-OE2 2.75Å; N210-E214 WeakPolarHBondContact OD1-CB 3.46Å; N210-E214 PolarHBondContact OD1-N 3.48Å; K212-E214 HydrophobicContact CB-CG 4.28Å; E214-L216 PolarHBondContact O-N 3.37Å
215	F	97.1	Very high	97.1	Very high	61 Å²	61	60.7 Å²	60.7	27%	0.268	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	132.7	179.9	173.6	-96.7	0	0	0	111.8	K178 M207 F209 K217	K178-F215 HydrophobicContact CB-CB 4.37Å; K178-F215 HydrophobicContact CB-CD1 3.86Å; K178-F215 HydrophobicContact CB-CD2 4.08Å; K178-F215 HydrophobicContact CB-CE1 4.12Å; K178-F215 HydrophobicContact CB-CE2 4.33Å; K178-F215 HydrophobicContact CB-CG 3.83Å; K178-F215 HydrophobicContact CB-CZ 4.34Å; K178-F215 HydrophobicContact CD-CD1 4.15Å; M207-F215 HydrophobicContact CE-CD2 3.66Å; M207-F215 HydrophobicContact CE-CE2 3.6Å; F209-F215 HydrophobicContact CD1-CB 4.12Å; F209-F215 HydrophobicContact CE1-CB 3.92Å; F209-F215 HydrophobicContact CE1-CD2 4.21Å; F209-F215 HydrophobicContact CZ-CD2 4.26Å; F215-K217 WeakPolarHBondContact CE2-O 3.47Å; F215-K217 VanDerWaalsContact CZ-C 3.47Å
216	L	95.1	Very high	96.8	Very high	86 Å²	86	64.1 Å²	64.1	45%	0.45	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	-58.8	176.3	-61.3	179.9	0	0	0	111.8	K208 N210 E214	K208-L216 HydrophobicContact CD-CD1 4.38Å; K208-L216 HydrophobicContact CG-CB 4.35Å; K208-L216 HydrophobicContact CG-CD1 4.16Å; K208-L216 PolarHBondContact O-N 3.01Å; N210-L216 HydrophobicContact CB-CD1 4.09Å; N210-L216 HydrophobicContact CB-CD2 4.46Å; N210-L216 HydrophobicContact CB-CG 4.42Å; E214-L216 PolarHBondContact O-N 3.37Å
217	K	95.9	Very high	96.5	Very high	62 Å²	62	73.1 Å²	73.1	27%	0.27	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	155.3	-173.5	-167.4	173.4	-175.6	-175.4	0	111	M207 K208 F215 D272 T274	M207-K217 CarbonylContact C-O 3.58Å; K208-K217 PolarHBondContact N-O 3.12Å; K208-K217 PolarHBondContact O-N 2.67Å; F215-K217 WeakPolarHBondContact CE2-O 3.47Å; F215-K217 VanDerWaalsContact CZ-C 3.47Å; K217-D272 PolarHBondContact NZ-O 2.86Å; K217-T274 HydrophobicContact CD-CG2 4.45Å; K217-T274 WeakPolarHBondContact CD-O 3.32Å; K217-T274 WeakPolarHBondContact CE-O 3.44Å; K217-T274 PolarHBondContact NZ-O 2.94Å
218	S	97.4	Very high	96.2	Very high	50 Å²	50	77.1 Å²	77.1	35%	0.35	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	151.4	165.3	58.9	0	0	0	0	110.6	I206	I206-S218 CarbonylContact O-C 3.5Å; I206-S218 WeakPolarHBondContact O-CA 3.44Å; I206-S218 VanDerWaalsContact O-CB 3.31Å; I206-S218 WeakPolarHBondContact O-CB 3.28Å
219	W	97.8	Very high	96.2	Very high	21 Å²	21	77.9 Å²	77.9	8%	0.08	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	169.9	174.1	68.8	99.7	0	0	0	110.6	F196 R205 I206 K208 I249 Y262 T274	F196-W219 AromaticContact CD1-CH2 3.91Å; F196-W219 HydrophobicContact CD1-CH2 3.91Å; F196-W219 HydrophobicContact CE1-CH2 4.18Å; R205-W219 CarbonylContact C-O 3.57Å; R205-W219 VanDerWaalsContact CA-O 3.29Å; R205-W219 WeakPolarHBondContact CA-O 3.4Å; R205-W219 WeakPolarHBondContact CB-O 3.18Å; I206-W219 HydrophobicContact CB-CD2 4.08Å; I206-W219 HydrophobicContact CB-CE3 4.38Å; I206-W219 HydrophobicContact CB-CH2 4.04Å; I206-W219 HydrophobicContact CB-CZ2 3.7Å; I206-W219 HydrophobicContact CB-CZ3 4.35Å; I206-W219 HydrophobicContact CG1-CZ2 4.24Å; I206-W219 HydrophobicContact CG2-CH2 3.53Å; I206-W219 HydrophobicContact CG2-CZ2 3.51Å; I206-W219 HydrophobicContact CG2-CZ3 4.09Å; I206-W219 PolarHBondContact N-O 3.28Å; I206-W219 PolarHBondContact O-N 3.04Å; K208-W219 HydrophobicContact CB-CZ3 4.26Å; W219-I249 HydrophobicContact CH2-CG2 4.44Å; W219-I249 HydrophobicContact CZ2-CG2 4.02Å; W219-Y262 HydrophobicContact CZ2-CD2 4.37Å; W219-Y262 AromaticContact NE1-CD1 3.77Å; W219-Y262 AromaticContact NE1-CD2 3.35Å; W219-Y262 AromaticContact NE1-CE1 3.98Å; W219-Y262 AromaticContact NE1-CE2 3.55Å; W219-Y262 AromaticContact NE1-CG 3.47Å; W219-Y262 AromaticContact NE1-CZ 3.86Å; W219-T274 HydrophobicContact CE3-CG2 4.07Å; W219-T274 HydrophobicContact CH2-CG2 3.7Å; W219-T274 HydrophobicContact CZ3-CG2 3.36Å
220	G	98.3	Very high	96.2	Very high	18 Å²	18	78.8 Å²	78.8	19%	0.186	40%	0.399	C	S	.	.			trans	90.2	150	-170.1	0	0	0	0	0	112.4	N204 Y232	N204-G220 CarbonylContact O-C 3.44Å; N204-G220 VanDerWaalsContact O-C 3.25Å; G220-Y232 CarbonylContact C-O 3.59Å; G220-Y232 VanDerWaalsContact CA-O 3.31Å; G220-Y232 WeakPolarHBondContact CA-O 3.16Å
221	Y	97.5	Very high	96.3	Very high	115 Å²	115	79.5 Å²	79.5	45%	0.451	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	165.1	174.8	44.1	-92.7	0	0	0	110	N204 T223 Y232 D233 L234	N204-Y221 PolarHBondContact O-N 3.4Å; Y221-T223 PolarHBondContact O-N 3.13Å; Y221-Y232 HydrophobicContact CE1-CG 4.44Å; Y221-Y232 PolarHBondContact N-O 3.23Å; Y221-D233 WeakPolarHBondContact CD2-OD1 3.4Å; Y221-D233 WeakPolarHBondContact CE2-OD1 3.42Å; Y221-D233 CarbonylContact O-C 3.08Å; Y221-D233 WeakPolarHBondContact O-CA 3.32Å; Y221-L234 PolarHBondContact O-N 3.43Å
222	E	98.1	Very high	96.4	Very high	138 Å²	138	77 Å²	77	65%	0.645	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.3	132.2	179.4	-177.5	-178.8	-168.1	0	0	112.2	N204 K224	N204-E222 HydrophobicContact CB-CB 4.45Å; E222-K224 PolarHBondContact O-N 3.45Å
223	T	98.2	Very high	96.5	Very high	12 Å²	12	71.5 Å²	71.5	7%	0.074	37%	0.368	C	S	.	.			trans	-64.8	115.3	174.1	-61.5	0	0	0	0	111.5	Y221 P229 D233 L234 N256	Y221-T223 PolarHBondContact O-N 3.13Å; T223-P229 HydrophobicContact CG2-CB 3.88Å; T223-D233 HydrophobicContact CG2-CB 4.24Å; T223-D233 PolarHBondContact OG1-O 2.83Å; T223-L234 PolarHBondContact N-O 2.81Å; T223-L234 PolarHBondContact OG1-N 3.31Å; T223-L234 PolarHBondContact OG1-O 2.78Å; T223-N256 PolarHBondContact OG1-ND2 3.48Å
224	K	95.8	Very high	96.6	Very high	186 Å²	186	70.9 Å²	70.9	81%	0.809	36%	0.362	S	S	*	.	S	Bend	trans	-84.5	-35.5	178.3	-63.9	-178.5	-177.3	174.3	0	113.8	E222	E222-K224 PolarHBondContact O-N 3.45Å
225	D	95.7	Very high	96.7	Very high	72 Å²	72	68 Å²	68	39%	0.385	35%	0.35	S	S	.	.			trans	-120.1	98.3	175.8	-179.9	12.7	0	0	0	110.5	K227 S228	D225-K227 PolarHBondContact O-N 3.3Å; D225-K227 WeakPolarHBondContact OD1-CB 3.21Å; D225-K227 PolarHBondContact OD1-N 3.26Å; D225-S228 CarbonylContact O-C 3.57Å; D225-S228 PolarHBondContact O-N 2.9Å; D225-S228 VanDerWaalsContact O-N 3.08Å; D225-S228 PolarHBondContact OD2-OG 3.23Å
226	P	91.8	Very high	96.7	Very high	95 Å²	95	66 Å²	66	62%	0.617	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-14.7	178.1	-24.4	34.5	0	0	0	114.6
227	K	92.2	Very high	96.9	Very high	190 Å²	190	61.9 Å²	61.9	83%	0.826	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-26.2	177.4	-63	-180	179.9	176.5	0	112.3	D225	D225-K227 PolarHBondContact O-N 3.3Å; D225-K227 WeakPolarHBondContact OD1-CB 3.21Å; D225-K227 PolarHBondContact OD1-N 3.26Å
228	S	93.8	Very high	97	Very high	83 Å²	83	59.2 Å²	59.2	58%	0.58	31%	0.309	S	S	*	.	S	Bend	trans	-143.9	56	-172.8	-41.8	0	0	0	0	111.5	D225 G230	D225-S228 CarbonylContact O-C 3.57Å; D225-S228 PolarHBondContact O-N 2.9Å; D225-S228 VanDerWaalsContact O-N 3.08Å; D225-S228 PolarHBondContact OD2-OG 3.23Å; S228-G230 PolarHBondContact O-N 3.47Å
229	P	96.5	Very high	97.1	Very high	23 Å²	23	57 Å²	57	15%	0.149	29%	0.293	C	S	.	.			trans	-62.8	125.2	-179.6	27.5	-34.6	0	0	0	110.1	T223 D233 N256 R258	T223-P229 HydrophobicContact CG2-CB 3.88Å; P229-D233 HydrophobicContact CB-CB 3.95Å; P229-N256 HydrophobicContact CG-CB 4.39Å; P229-R258 PolarHBondContact O-NH1 3.16Å
230	G	97.5	Very high	97.1	Very high	21 Å²	21	56.1 Å²	56.1	22%	0.216	29%	0.29	C	S	.	.			trans	-66.1	173.4	170.8	0	0	0	0	0	112	S228 Y232 D233 R258	S228-G230 PolarHBondContact O-N 3.47Å; G230-Y232 PolarHBondContact O-N 3.31Å; G230-Y232 VanDerWaalsContact O-N 3.08Å; G230-D233 WeakPolarHBondContact CA-OD2 3.34Å; G230-D233 PolarHBondContact N-OD2 2.83Å; G230-D233 PolarHBondContact O-N 3.18Å; G230-R258 PolarHBondContact O-NH1 3.33Å; G230-R258 PolarHBondContact O-NH2 2.98Å
231	P	97.6	Very high	97.2	Very high	48 Å²	48	55.9 Å²	55.9	31%	0.312	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-16.2	-175.4	25.8	-35.3	0	0	0	114	Y262 Y277	P231-Y262 WeakPolarHBondContact O-CE1 3.35Å; P231-Y262 PolarHBondContact O-OH 2.94Å; P231-Y277 HydrophobicContact CB-CD1 4.44Å; P231-Y277 HydrophobicContact CB-CD2 3.3Å; P231-Y277 HydrophobicContact CB-CE2 3.74Å; P231-Y277 HydrophobicContact CB-CG 3.68Å
232	Y	98.3	Very high	97.2	Very high	72 Å²	72	51.5 Å²	51.5	28%	0.282	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.9	-1.9	179.4	-54.3	-67.5	0	0	0	113.1	G220 Y221 G230 L234 Y262 G275 Y277	G220-Y232 CarbonylContact C-O 3.59Å; G220-Y232 VanDerWaalsContact CA-O 3.31Å; G220-Y232 WeakPolarHBondContact CA-O 3.16Å; Y221-Y232 HydrophobicContact CE1-CG 4.44Å; Y221-Y232 PolarHBondContact N-O 3.23Å; G230-Y232 PolarHBondContact O-N 3.31Å; G230-Y232 VanDerWaalsContact O-N 3.08Å; Y232-L234 PolarHBondContact O-N 2.97Å; Y232-Y262 HydrophobicContact CD1-CD1 4.46Å; Y232-Y262 AromaticContact CD1-CE1 3.74Å; Y232-Y262 HydrophobicContact CD1-CE1 3.74Å; Y232-Y262 HydrophobicContact CE1-CD1 4.01Å; Y232-Y262 AromaticContact CE1-CE1 3.69Å; Y232-Y262 HydrophobicContact CE1-CE1 3.69Å; Y232-G275 VanDerWaalsContact CE1-O 3.25Å; Y232-G275 WeakPolarHBondContact CE1-O 3.26Å; Y232-Y277 PolarHBondContact OH-N 2.92Å; Y232-Y277 VanDerWaalsContact OH-N 3.15Å
233	D	98.4	Very high	97.1	Very high	23 Å²	23	45 Å²	45	12%	0.123	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	98.6	168.3	-74.2	-57.3	0	0	0	107.6	Y221 T223 P229 G230 N256 R258	Y221-D233 WeakPolarHBondContact CD2-OD1 3.4Å; Y221-D233 WeakPolarHBondContact CE2-OD1 3.42Å; Y221-D233 CarbonylContact O-C 3.08Å; Y221-D233 WeakPolarHBondContact O-CA 3.32Å; T223-D233 HydrophobicContact CG2-CB 4.24Å; T223-D233 PolarHBondContact OG1-O 2.83Å; P229-D233 HydrophobicContact CB-CB 3.95Å; G230-D233 WeakPolarHBondContact CA-OD2 3.34Å; G230-D233 PolarHBondContact N-OD2 2.83Å; G230-D233 PolarHBondContact O-N 3.18Å; D233-N256 PolarHBondContact O-ND2 3.19Å; D233-R258 PolarHBondContact O-NH2 2.91Å
234	L	98.7	Very high	97	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	152.1	176.3	-62.7	-179.7	0	0	0	110	N204 I206 Y221 T223 Y232 P237 D253 Y262	N204-L234 HydrophobicContact CB-CB 4.35Å; I206-L234 HydrophobicContact CD1-CD1 4.35Å; I206-L234 HydrophobicContact CG1-CD1 4.11Å; Y221-L234 PolarHBondContact O-N 3.43Å; T223-L234 PolarHBondContact N-O 2.81Å; T223-L234 PolarHBondContact OG1-N 3.31Å; T223-L234 PolarHBondContact OG1-O 2.78Å; Y232-L234 PolarHBondContact O-N 2.97Å; L234-P237 HydrophobicContact CB-CG 4.41Å; L234-P237 HydrophobicContact CD1-CB 4.25Å; L234-P237 HydrophobicContact CD1-CG 4.16Å; L234-D253 HydrophobicContact CD2-CB 4.37Å; L234-Y262 WeakPolarHBondContact CD2-OH 3.46Å
235	N	98.5	Very high	97	Very high	52 Å²	52	42.5 Å²	42.5	28%	0.278	23%	0.229	S	C	.	.	S	Bend	trans	-143.9	99.1	174	-168.2	-7.1	0	0	0	109.1	N204 D253 E255 N256	N204-N235 WeakPolarHBondContact OD1-CA 3.17Å; N235-D253 PolarHBondContact N-OD1 2.91Å; N235-E255 HydrophobicContact CB-CB 4.02Å; N235-E255 VanDerWaalsContact CG-CB 3.43Å; N235-E255 WeakPolarHBondContact ND2-CB 3.4Å; N235-E255 PolarHBondContact O-N 2.78Å; N235-E255 VanDerWaalsContact O-N 3.11Å; N235-N256 WeakPolarHBondContact CB-OD1 3.44Å; N235-N256 PolarHBondContact N-ND2 3.42Å
236	L	98.3	Very high	97	Very high	18 Å²	18	42.3 Å²	42.3	9%	0.094	23%	0.226	C	C	.	.			trans	58.9	64.7	-174.9	-149.7	178.8	0	0	0	112.1	T185 G200 Y201 N204 H238 R254 E255	T185-L236 HydrophobicContact CG2-CD2 4.29Å; G200-L236 WeakPolarHBondContact O-CA 3.46Å; Y201-L236 HydrophobicContact CD1-CD1 3.88Å; Y201-L236 HydrophobicContact CD1-CD2 4.2Å; Y201-L236 HydrophobicContact CD1-CG 3.96Å; Y201-L236 HydrophobicContact CE1-CD1 3.76Å; Y201-L236 HydrophobicContact CE1-CD2 4.05Å; Y201-L236 HydrophobicContact CE1-CG 4.13Å; Y201-L236 HydrophobicContact CG-CG 4.48Å; N204-L236 PolarHBondContact OD1-N 3.2Å; N204-L236 VanDerWaalsContact OD1-N 3.14Å; L236-H238 HydrophobicContact CD2-CB 3.83Å; L236-H238 PolarHBondContact O-N 2.86Å; L236-R254 HydrophobicContact CB-CB 4.44Å; L236-R254 HydrophobicContact CD2-CB 4.48Å; L236-R254 WeakPolarHBondContact O-CB 3.16Å; L236-R254 PolarHBondContact O-N 2.99Å; L236-E255 HydrophobicContact CB-CG 3.96Å; L236-E255 HydrophobicContact CD1-CG 4.06Å
237	P	98.7	Very high	97.2	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	107.4	167.6	26	-33.6	0	0	0	108.9	T185 S198 I206 L234 V251 A252	T185-P237 PolarHBondContact OG1-O 3.06Å; S198-P237 WeakPolarHBondContact CB-O 3.45Å; I206-P237 HydrophobicContact CD1-CB 3.7Å; I206-P237 HydrophobicContact CD1-CG 4.12Å; L234-P237 HydrophobicContact CB-CG 4.41Å; L234-P237 HydrophobicContact CD1-CB 4.25Å; L234-P237 HydrophobicContact CD1-CG 4.16Å; P237-V251 HydrophobicContact CB-CG1 3.45Å; P237-V251 VanDerWaalsContact CB-CG1 3.45Å; P237-A252 WeakPolarHBondContact CA-O 3.23Å
238	H	98.7	Very high	97.4	Very high	6 Å²	6	30 Å²	30	3%	0.028	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	-50.2	-161.5	-170.4	-105.6	0	0	0	112.8	H133 T185 D186 Y201 L236 A252 R254 Y290 H342	H133-H238 AromaticContact CE1-CD2 3.75Å; H133-H238 AromaticContact CE1-CE1 3.8Å; H133-H238 AromaticContact CE1-NE2 3.26Å; H133-H238 PolarHBondContact CE1-NE2 3.03Å; H133-H238 VanDerWaalsContact CE1-NE2 3.26Å; H133-H238 AromaticContact NE2-CD2 3.97Å; H133-H238 AromaticContact NE2-NE2 3.3Å; H133-H238 PolarHBondContact NE2-NE2 2.92Å; T185-H238 WeakPolarHBondContact CB-O 3.45Å; T185-H238 PolarHBondContact OG1-O 3.22Å; D186-H238 WeakPolarHBondContact CB-O 3.5Å; Y201-H238 PolarHBondContact OH-NE2 2.76Å; L236-H238 HydrophobicContact CD2-CB 3.83Å; L236-H238 PolarHBondContact O-N 2.86Å; H238-A252 PolarHBondContact N-O 3.25Å; H238-R254 HydrophobicContact CB-CB 3.98Å; H238-Y290 PolarHBondContact ND1-O 2.04Å; H238-H342 AromaticContact CE1-CE1 3.43Å; H238-H342 PolarHBondContact CE1-CE1 2.6Å; H238-H342 VanDerWaalsContact CE1-CE1 3.43Å; H238-H342 AromaticContact CE1-ND1 3.57Å; H238-H342 PolarHBondContact CE1-O 3.19Å; H238-H342 AromaticContact NE2-CE1 3.31Å; H238-H342 PolarHBondContact NE2-CE1 2.75Å; H238-H342 VanDerWaalsContact NE2-CE1 3.31Å; H238-H342 AromaticContact NE2-ND1 3.79Å
239	Q	98.8	Very high	97.7	Very high	5 Å²	5	26 Å²	26	2%	0.023	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	146.1	179.4	-163.5	172.8	1.5	0	0	110	D186 A252 V292 I344	D186-Q239 VanDerWaalsContact OD2-CG 3.24Å; D186-Q239 WeakPolarHBondContact OD2-CG 3.47Å; Q239-A252 HydrophobicContact CB-CB 4.23Å; Q239-A252 PolarHBondContact O-N 3.28Å; Q239-V292 WeakPolarHBondContact O-CG1 3.25Å; Q239-I344 PolarHBondContact NE2-O 3.35Å
240	L	98.9	Very high	97.8	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.01	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	146.6	178.4	-62.7	178.2	0	0	0	110.5	D186 V188 F196 I206 I249 C250 V251	D186-L240 PolarHBondContact OD2-N 3.23Å; V188-L240 HydrophobicContact CB-CB 4.44Å; V188-L240 HydrophobicContact CG1-CB 3.75Å; V188-L240 WeakPolarHBondContact CG1-O 3.33Å; V188-L240 HydrophobicContact CG2-CB 3.9Å; V188-L240 HydrophobicContact CG2-CD1 4.25Å; F196-L240 HydrophobicContact CB-CD1 4.38Å; I206-L240 HydrophobicContact CD1-CD2 3.84Å; L240-I249 HydrophobicContact CD1-CD1 4.28Å; L240-I249 HydrophobicContact CD2-CD1 4.29Å; L240-I249 HydrophobicContact CD2-CG1 4.47Å; L240-C250 WeakPolarHBondContact CA-O 3.01Å; L240-V251 HydrophobicContact CD2-CB 4.16Å; L240-V251 HydrophobicContact CD2-CG1 4.03Å; L240-V251 HydrophobicContact CD2-CG2 3.66Å
241	S	98.6	Very high	97.9	Very high	13 Å²	13	23.9 Å²	23.9	9%	0.091	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	136.2	167	-166.2	0	0	0	0	109.8	I249 C250 I294	S241-I249 WeakPolarHBondContact O-CA 3.29Å; S241-C250 PolarHBondContact N-O 3.23Å; S241-C250 PolarHBondContact O-N 2.97Å; S241-I294 WeakPolarHBondContact OG-CB 3.47Å; S241-I294 WeakPolarHBondContact OG-CG1 3.19Å; S241-I294 PolarHBondContact OG-N 2.79Å
242	L	98	Very high	97.9	Very high	23 Å²	23	21.6 Å²	21.6	12%	0.12	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	132.5	178	-169.7	70.4	0	0	0	109.1	V188 F196 E244 I249 A264 L266	V188-L242 HydrophobicContact CB-CB 4.3Å; V188-L242 HydrophobicContact CG2-CB 4.2Å; F196-L242 HydrophobicContact CE2-CD1 4.39Å; L242-E244 HydrophobicContact CD2-CG 3.53Å; L242-E244 HydrophobicContact CG-CG 3.84Å; L242-I249 HydrophobicContact CD1-CB 4.06Å; L242-A264 HydrophobicContact CD1-CB 3.67Å; L242-L266 HydrophobicContact CD1-CD1 4.37Å; L242-L266 HydrophobicContact CD2-CD1 4.26Å
243	L	97.3	Very high	97.9	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	91.7	168.4	-178.1	62	0	0	0	106.8	E245 E246 D247 A248 I294 P296 F321	L243-E245 VanDerWaalsContact C-N 3.33Å; L243-E245 PolarHBondContact O-N 3.05Å; L243-E246 HydrophobicContact CD2-CB 3.87Å; L243-E246 HydrophobicContact CD2-CG 3.57Å; L243-E246 HydrophobicContact CG-CB 4.02Å; L243-E246 HydrophobicContact CG-CG 3.96Å; L243-E246 PolarHBondContact O-N 3.44Å; L243-D247 PolarHBondContact O-N 3.31Å; L243-A248 HydrophobicContact CB-CB 4.46Å; L243-A248 PolarHBondContact N-O 3.15Å; L243-A248 PolarHBondContact O-N 3.24Å; L243-I294 HydrophobicContact CB-CD1 4.27Å; L243-I294 HydrophobicContact CB-CG2 4.32Å; L243-I294 HydrophobicContact CD1-CG2 3.98Å; L243-I294 HydrophobicContact CD2-CG2 4.24Å; L243-I294 HydrophobicContact CG-CG2 4.43Å; L243-P296 HydrophobicContact CD1-CB 3.94Å; L243-P296 HydrophobicContact CD1-CG 4.39Å; L243-F321 HydrophobicContact CD2-CD1 3.96Å; L243-F321 HydrophobicContact CD2-CD2 3.72Å; L243-F321 HydrophobicContact CD2-CE1 3.96Å; L243-F321 HydrophobicContact CD2-CE2 3.73Å; L243-F321 HydrophobicContact CD2-CG 3.85Å; L243-F321 HydrophobicContact CD2-CZ 3.86Å
244	E	96	Very high	97.9	Very high	31 Å²	31	18.7 Å²	18.7	15%	0.145	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	-64.2	-39.6	-169.7	-68.3	-165.1	-148.9	0	0	112	S190 S191 L242 E246 D247 L266 Y267	S190-E244 WeakPolarHBondContact CA-OE1 3.19Å; S191-E244 VanDerWaalsContact CB-OE2 3.25Å; S191-E244 WeakPolarHBondContact CB-OE2 3.24Å; S191-E244 PolarHBondContact N-OE1 2.99Å; S191-E244 PolarHBondContact N-OE2 2.85Å; S191-E244 PolarHBondContact OG-OE2 3.36Å; L242-E244 HydrophobicContact CD2-CG 3.53Å; L242-E244 HydrophobicContact CG-CG 3.84Å; E244-E246 PolarHBondContact O-N 2.8Å; E244-E246 VanDerWaalsContact O-N 3.11Å; E244-D247 PolarHBondContact O-N 3.25Å; E244-L266 HydrophobicContact CB-CD1 4Å; E244-L266 HydrophobicContact CG-CD1 3.72Å; E244-Y267 WeakPolarHBondContact O-CE2 3.34Å; E244-Y267 PolarHBondContact O-OH 3.06Å
245	E	94.6	Very high	97.8	Very high	115 Å²	115	20.6 Å²	20.6	54%	0.537	10%	0.1	S	C	.	.	G	3₁₀ helix	trans	-60.1	-25.8	-178.2	-62.2	77.9	-172.7	0	0	112.9	L243	L243-E245 VanDerWaalsContact C-N 3.33Å; L243-E245 PolarHBondContact O-N 3.05Å
246	E	95.4	Very high	97.8	Very high	69 Å²	69	19 Å²	19	32%	0.322	9%	0.091	S	C	.	.	G	3₁₀ helix	trans	-106.1	8.3	178.4	-59.9	-57.6	143.5	0	0	112.5	L243 E244 A248 R299 F321	L243-E246 HydrophobicContact CD2-CB 3.87Å; L243-E246 HydrophobicContact CD2-CG 3.57Å; L243-E246 HydrophobicContact CG-CB 4.02Å; L243-E246 HydrophobicContact CG-CG 3.96Å; L243-E246 PolarHBondContact O-N 3.44Å; E244-E246 PolarHBondContact O-N 2.8Å; E244-E246 VanDerWaalsContact O-N 3.11Å; E246-A248 HydrophobicContact CB-CB 4.26Å; E246-A248 PolarHBondContact O-N 2.89Å; E246-A248 VanDerWaalsContact O-N 3.16Å; E246-R299 IonicContact OE1-CZ 3.21Å; E246-R299 IonicContact OE1-NH1 2.84Å; E246-R299 PolarHBondContact OE1-NH1 3.17Å; E246-R299 IonicContact OE1-NH2 3.53Å; E246-R299 PolarHBondContact OE1-NH2 3.11Å; E246-F321 HydrophobicContact CB-CE1 3.87Å; E246-F321 HydrophobicContact CB-CZ 3.97Å; E246-F321 HydrophobicContact CG-CD1 4.39Å; E246-F321 HydrophobicContact CG-CE1 3.82Å; E246-F321 HydrophobicContact CG-CZ 4.36Å
247	D	96.2	Very high	97.8	Very high	25 Å²	25	22 Å²	22	13%	0.134	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.4	41.5	-173.4	-164.9	18.8	0	0	0	112.4	L243 E244 T263 A264 G265 L266 Y267	L243-D247 PolarHBondContact O-N 3.31Å; E244-D247 PolarHBondContact O-N 3.25Å; D247-T263 CarbonylContact O-C 3.58Å; D247-T263 WeakPolarHBondContact O-CA 3.36Å; D247-A264 PolarHBondContact O-N 2.88Å; D247-A264 WeakPolarHBondContact OD1-CB 3.46Å; D247-G265 PolarHBondContact OD1-N 3.5Å; D247-G265 WeakPolarHBondContact OD2-CA 3.21Å; D247-G265 PolarHBondContact OD2-N 3.23Å; D247-L266 WeakPolarHBondContact OD1-CB 3.48Å; D247-L266 WeakPolarHBondContact OD1-CG 3.37Å; D247-L266 PolarHBondContact OD1-N 2.94Å; D247-L266 PolarHBondContact OD2-N 3.11Å; D247-Y267 HydrophobicContact CB-CD2 4.13Å; D247-Y267 HydrophobicContact CB-CE2 4.43Å
248	A	97.8	Very high	97.7	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	133.8	-171	0	0	0	0	0	112.1	L243 E246 Y262 L278 F321	L243-A248 HydrophobicContact CB-CB 4.46Å; L243-A248 PolarHBondContact N-O 3.15Å; L243-A248 PolarHBondContact O-N 3.24Å; E246-A248 HydrophobicContact CB-CB 4.26Å; E246-A248 PolarHBondContact O-N 2.89Å; E246-A248 VanDerWaalsContact O-N 3.16Å; A248-Y262 CarbonylContact C-O 3.56Å; A248-Y262 WeakPolarHBondContact CA-O 3.43Å; A248-L278 HydrophobicContact CB-CD1 3.66Å; A248-F321 HydrophobicContact CB-CE2 3.99Å; A248-F321 HydrophobicContact CB-CZ 3.67Å
249	I	98.6	Very high	97.7	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	119.7	167.4	-177.3	169.2	0	0	0	109.4	V188 F196 I206 W219 L240 S241 L242 C261 Y262 A264	V188-I249 HydrophobicContact CG2-CD1 3.84Å; V188-I249 HydrophobicContact CG2-CG1 4.44Å; F196-I249 HydrophobicContact CB-CD1 3.5Å; F196-I249 VanDerWaalsContact CB-CD1 3.5Å; F196-I249 HydrophobicContact CD1-CD1 3.72Å; F196-I249 HydrophobicContact CD2-CD1 4.36Å; F196-I249 HydrophobicContact CE1-CD1 4.5Å; F196-I249 HydrophobicContact CG-CD1 3.61Å; I206-I249 HydrophobicContact CG2-CD1 4.44Å; W219-I249 HydrophobicContact CH2-CG2 4.44Å; W219-I249 HydrophobicContact CZ2-CG2 4.02Å; L240-I249 HydrophobicContact CD1-CD1 4.28Å; L240-I249 HydrophobicContact CD2-CD1 4.29Å; L240-I249 HydrophobicContact CD2-CG1 4.47Å; S241-I249 WeakPolarHBondContact O-CA 3.29Å; L242-I249 HydrophobicContact CD1-CB 4.06Å; I249-C261 CarbonylContact O-C 3.48Å; I249-C261 VanDerWaalsContact O-CA 3.31Å; I249-C261 WeakPolarHBondContact O-CA 3.45Å; I249-Y262 WeakPolarHBondContact CG2-O 3.12Å; I249-Y262 PolarHBondContact N-O 2.87Å; I249-Y262 PolarHBondContact O-N 3.23Å; I249-A264 HydrophobicContact CB-CB 4.2Å; I249-A264 HydrophobicContact CG2-CB 4.17Å
250	C	98.8	Very high	97.7	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	141.4	178.8	-65	0	0	0	0	111	L240 S241 I259 V260 C261 V292 I294	L240-C250 WeakPolarHBondContact CA-O 3.01Å; S241-C250 PolarHBondContact N-O 3.23Å; S241-C250 PolarHBondContact O-N 2.97Å; C250-I259 HydrophobicContact CB-CG2 3.98Å; C250-V260 CarbonylContact C-O 3.5Å; C250-V260 WeakPolarHBondContact CA-O 3.49Å; C250-C261 HydrophobicContact CB-CB 4.17Å; C250-C261 WeakPolarHBondContact CB-SG 3.49Å; C250-C261 WeakPolarHBondContact SG-CB 3.2Å; C250-C261 CovalentContact SG-SG 2.04Å; C250-C261 PolarHBondContact SG-SG 3.21Å; C250-V292 HydrophobicContact CB-CG2 4.37Å; C250-I294 HydrophobicContact CB-CD1 3.95Å
251	V	98.9	Very high	97.7	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	124.8	-171.5	-173.4	0	0	0	0	109	I206 P237 L240 D253 I259 V260 Y262	I206-V251 HydrophobicContact CD1-CG1 4.06Å; I206-V251 HydrophobicContact CD1-CG2 4.15Å; I206-V251 HydrophobicContact CG1-CG2 4.14Å; P237-V251 HydrophobicContact CB-CG1 3.45Å; P237-V251 VanDerWaalsContact CB-CG1 3.45Å; L240-V251 HydrophobicContact CD2-CB 4.16Å; L240-V251 HydrophobicContact CD2-CG1 4.03Å; L240-V251 HydrophobicContact CD2-CG2 3.66Å; V251-D253 PolarHBondContact O-N 3.01Å; V251-D253 VanDerWaalsContact O-N 3.11Å; V251-I259 VanDerWaalsContact O-CA 3.25Å; V251-I259 WeakPolarHBondContact O-CA 3.38Å; V251-V260 PolarHBondContact N-O 3.11Å; V251-V260 PolarHBondContact O-N 2.92Å; V251-Y262 HydrophobicContact CG2-CD2 4.03Å; V251-Y262 HydrophobicContact CG2-CE2 3.82Å
252	A	98.8	Very high	97.7	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	96.8	163.6	0	0	0	0	0	108.8	P237 H238 Q239 R254 I289 V292	P237-A252 WeakPolarHBondContact CA-O 3.23Å; H238-A252 PolarHBondContact N-O 3.25Å; Q239-A252 HydrophobicContact CB-CB 4.23Å; Q239-A252 PolarHBondContact O-N 3.28Å; A252-R254 VanDerWaalsContact C-N 3.32Å; A252-R254 PolarHBondContact O-N 2.95Å; A252-R254 VanDerWaalsContact O-N 3.11Å; A252-I289 HydrophobicContact CB-CG2 3.93Å; A252-V292 HydrophobicContact CB-CB 4.19Å; A252-V292 HydrophobicContact CB-CG1 3.93Å
253	D	98.6	Very high	97.7	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	77.6	179.6	-170.4	16.4	0	0	0	108.8	L234 N235 V251 E255 N256 K257 R258 V260	L234-D253 HydrophobicContact CD2-CB 4.37Å; N235-D253 PolarHBondContact N-OD1 2.91Å; V251-D253 PolarHBondContact O-N 3.01Å; V251-D253 VanDerWaalsContact O-N 3.11Å; D253-E255 PolarHBondContact O-N 3.33Å; D253-N256 HydrophobicContact CB-CB 4.35Å; D253-N256 CarbonylContact O-C 3.27Å; D253-N256 PolarHBondContact O-N 2.88Å; D253-N256 VanDerWaalsContact O-N 3.16Å; D253-N256 PolarHBondContact OD1-ND2 2.96Å; D253-N256 WeakPolarHBondContact OD2-CB 3.34Å; D253-N256 PolarHBondContact OD2-ND2 3.14Å; D253-K257 PolarHBondContact O-N 2.88Å; D253-R258 HydrophobicContact CB-CG 3.88Å; D253-R258 PolarHBondContact N-O 3.24Å; D253-R258 IonicContact OD2-CZ 3.58Å; D253-R258 IonicContact OD2-NE 3.68Å; D253-R258 PolarHBondContact OD2-NE 3.04Å; D253-R258 IonicContact OD2-NH2 3.81Å; D253-R258 PolarHBondContact OD2-NH2 3.33Å; D253-V260 HydrophobicContact CB-CG2 4.32Å
254	R	98.1	Very high	97.7	Very high	34 Å²	34	20.8 Å²	20.8	13%	0.128	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-52.9	-154.2	174	-177.8	151.8	168.1	10.9	113.5	L236 H238 A252 N256 K257 R288 I289 Y290	L236-R254 HydrophobicContact CB-CB 4.44Å; L236-R254 HydrophobicContact CD2-CB 4.48Å; L236-R254 WeakPolarHBondContact O-CB 3.16Å; L236-R254 PolarHBondContact O-N 2.99Å; H238-R254 HydrophobicContact CB-CB 3.98Å; A252-R254 VanDerWaalsContact C-N 3.32Å; A252-R254 PolarHBondContact O-N 2.95Å; A252-R254 VanDerWaalsContact O-N 3.11Å; R254-N256 VanDerWaalsContact C-N 3.33Å; R254-K257 PolarHBondContact O-N 2.79Å; R254-R288 HydrophobicContact CG-CB 4.22Å; R254-R288 WeakPolarHBondContact O-CA 3.19Å; R254-I289 WeakPolarHBondContact CA-O 3.08Å; R254-I289 VanDerWaalsContact CB-O 3.23Å; R254-I289 WeakPolarHBondContact CB-O 3.12Å; R254-I289 WeakPolarHBondContact CG-O 3.47Å; R254-I289 PolarHBondContact O-N 3.02Å; R254-Y290 VanDerWaalsContact CZ-CE1 3.44Å; R254-Y290 PolarHBondContact NH2-OH 2.9Å
255	E	97.2	Very high	97.7	Very high	40 Å²	40	19.8 Å²	19.8	19%	0.187	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-19.8	-173.9	-63.3	-56.8	135.8	0	0	112.2	N235 L236 D253 K257 R288	N235-E255 HydrophobicContact CB-CB 4.02Å; N235-E255 VanDerWaalsContact CG-CB 3.43Å; N235-E255 WeakPolarHBondContact ND2-CB 3.4Å; N235-E255 PolarHBondContact O-N 2.78Å; N235-E255 VanDerWaalsContact O-N 3.11Å; L236-E255 HydrophobicContact CB-CG 3.96Å; L236-E255 HydrophobicContact CD1-CG 4.06Å; D253-E255 PolarHBondContact O-N 3.33Å; E255-K257 VanDerWaalsContact C-N 3.28Å; E255-R288 VanDerWaalsContact CD-NE 3.27Å; E255-R288 WeakPolarHBondContact OE1-CD 3.25Å; E255-R288 IonicContact OE1-CZ 2.86Å; E255-R288 IonicContact OE1-NE 2.74Å; E255-R288 PolarHBondContact OE1-NE 3.11Å; E255-R288 IonicContact OE1-NH2 3.12Å; E255-R288 IonicContact OE2-CZ 2.89Å; E255-R288 IonicContact OE2-NE 2.72Å; E255-R288 PolarHBondContact OE2-NE 3.43Å; E255-R288 IonicContact OE2-NH2 2.96Å; E255-R288 PolarHBondContact OE2-NH2 3.39Å
256	N	97.8	Very high	97.6	Very high	17 Å²	17	14.9 Å²	14.9	9%	0.091	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-2.1	169.3	-75.2	-21.7	0	0	0	113.6	T223 P229 D233 N235 D253 R254 R258	T223-N256 PolarHBondContact OG1-ND2 3.48Å; P229-N256 HydrophobicContact CG-CB 4.39Å; D233-N256 PolarHBondContact O-ND2 3.19Å; N235-N256 WeakPolarHBondContact CB-OD1 3.44Å; N235-N256 PolarHBondContact N-ND2 3.42Å; D253-N256 HydrophobicContact CB-CB 4.35Å; D253-N256 CarbonylContact O-C 3.27Å; D253-N256 PolarHBondContact O-N 2.88Å; D253-N256 VanDerWaalsContact O-N 3.16Å; D253-N256 PolarHBondContact OD1-ND2 2.96Å; D253-N256 WeakPolarHBondContact OD2-CB 3.34Å; D253-N256 PolarHBondContact OD2-ND2 3.14Å; R254-N256 VanDerWaalsContact C-N 3.33Å; N256-R258 VanDerWaalsContact C-N 3.33Å; N256-R258 HydrophobicContact CB-CG 4.14Å; N256-R258 PolarHBondContact O-N 3.37Å
257	K	97.4	Very high	97.4	Very high	82 Å²	82	18 Å²	18	36%	0.357	8%	0.082	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.5	40.6	169.4	-55.1	130.7	173.6	-113.5	0	112.9	D253 R254 E255 Q283 K286 R287	D253-K257 PolarHBondContact O-N 2.88Å; R254-K257 PolarHBondContact O-N 2.79Å; E255-K257 VanDerWaalsContact C-N 3.28Å; K257-Q283 WeakPolarHBondContact O-CB 3.49Å; K257-Q283 PolarHBondContact O-N 3.04Å; K257-Q283 VanDerWaalsContact O-N 3.14Å; K257-K286 HydrophobicContact CD-CB 4.3Å; K257-K286 WeakPolarHBondContact CD-O 3.36Å; K257-K286 WeakPolarHBondContact CE-O 3.07Å; K257-K286 VanDerWaalsContact CG-O 3.29Å; K257-K286 WeakPolarHBondContact CG-O 3.29Å; K257-K286 PolarHBondContact NZ-O 2.74Å; K257-R287 WeakPolarHBondContact CA-O 3.45Å; K257-R287 WeakPolarHBondContact CB-O 2.86Å; K257-R287 WeakPolarHBondContact CG-O 3.32Å
258	R	98	Very high	96.5	Very high	2 Å²	2	19.1 Å²	19.1	1%	0.008	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	162.6	-177.3	65.8	179.2	-179.3	178.8	-0.6	111.8	P229 G230 D233 D253 N256 V260 E280 Y281 K282	P229-R258 PolarHBondContact O-NH1 3.16Å; G230-R258 PolarHBondContact O-NH1 3.33Å; G230-R258 PolarHBondContact O-NH2 2.98Å; D233-R258 PolarHBondContact O-NH2 2.91Å; D253-R258 HydrophobicContact CB-CG 3.88Å; D253-R258 PolarHBondContact N-O 3.24Å; D253-R258 IonicContact OD2-CZ 3.58Å; D253-R258 IonicContact OD2-NE 3.68Å; D253-R258 PolarHBondContact OD2-NE 3.04Å; D253-R258 IonicContact OD2-NH2 3.81Å; D253-R258 PolarHBondContact OD2-NH2 3.33Å; N256-R258 VanDerWaalsContact C-N 3.33Å; N256-R258 HydrophobicContact CB-CG 4.14Å; N256-R258 PolarHBondContact O-N 3.37Å; R258-V260 HydrophobicContact CG-CG2 3.8Å; R258-E280 VanDerWaalsContact CD-OE2 3.32Å; R258-E280 WeakPolarHBondContact CD-OE2 3.48Å; R258-E280 IonicContact CZ-OE2 2.9Å; R258-E280 IonicContact NE-OE2 3.34Å; R258-E280 IonicContact NH1-OE2 2.92Å; R258-E280 PolarHBondContact NH1-OE2 3.27Å; R258-Y281 CarbonylContact C-O 3.5Å; R258-Y281 WeakPolarHBondContact CA-O 3.49Å; R258-Y281 VanDerWaalsContact CB-O 3.24Å; R258-Y281 WeakPolarHBondContact CB-O 3.49Å; R258-K282 HydrophobicContact CB-CG 4.47Å
259	I	98.8	Very high	95.2	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	132.7	160.8	-66.4	166.6	0	0	0	107	C250 V251 E280 Y281 I289 V292 I301 A303	C250-I259 HydrophobicContact CB-CG2 3.98Å; V251-I259 VanDerWaalsContact O-CA 3.25Å; V251-I259 WeakPolarHBondContact O-CA 3.38Å; I259-E280 CarbonylContact O-C 3.37Å; I259-E280 WeakPolarHBondContact O-CA 3.23Å; I259-E280 WeakPolarHBondContact O-CB 3.25Å; I259-Y281 PolarHBondContact N-O 3.49Å; I259-Y281 PolarHBondContact O-N 3Å; I259-I289 HydrophobicContact CD1-CD1 4.33Å; I259-I289 HydrophobicContact CD1-CG2 4.42Å; I259-I289 HydrophobicContact CG1-CD1 3.86Å; I259-I289 HydrophobicContact CG1-CG2 4.08Å; I259-V292 HydrophobicContact CD1-CB 4.12Å; I259-V292 HydrophobicContact CD1-CG2 3.75Å; I259-V292 HydrophobicContact CG1-CB 4.36Å; I259-V292 HydrophobicContact CG1-CG2 4.28Å; I259-V292 HydrophobicContact CG2-CG2 4.2Å; I259-I301 HydrophobicContact CD1-CG2 3.81Å; I259-A303 HydrophobicContact CD1-CB 3.48Å; I259-A303 VanDerWaalsContact CD1-CB 3.48Å
260	V	98.6	Very high	93.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	131.9	172.6	-168.3	0	0	0	0	108.8	C250 V251 D253 R258 Y262 Y277 E280	C250-V260 CarbonylContact C-O 3.5Å; C250-V260 WeakPolarHBondContact CA-O 3.49Å; V251-V260 PolarHBondContact N-O 3.11Å; V251-V260 PolarHBondContact O-N 2.92Å; D253-V260 HydrophobicContact CB-CG2 4.32Å; R258-V260 HydrophobicContact CG-CG2 3.8Å; V260-Y262 HydrophobicContact CB-CE2 4.17Å; V260-Y262 HydrophobicContact CG1-CE1 3.93Å; V260-Y262 HydrophobicContact CG1-CE2 3.93Å; V260-Y262 WeakPolarHBondContact CG1-OH 3.24Å; V260-Y277 HydrophobicContact CG1-CD2 3.93Å; V260-Y277 HydrophobicContact CG1-CE2 3.96Å; V260-E280 HydrophobicContact CG2-CB 4.27Å
261	C	98.7	Very high	92.2	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	139.7	178.6	-56.5	0	0	0	0	110.7	I249 C250 L278 F279	I249-C261 CarbonylContact O-C 3.48Å; I249-C261 VanDerWaalsContact O-CA 3.31Å; I249-C261 WeakPolarHBondContact O-CA 3.45Å; C250-C261 HydrophobicContact CB-CB 4.17Å; C250-C261 WeakPolarHBondContact CB-SG 3.49Å; C250-C261 WeakPolarHBondContact SG-CB 3.2Å; C250-C261 CovalentContact SG-SG 2.04Å; C250-C261 PolarHBondContact SG-SG 3.21Å; C261-L278 HydrophobicContact CB-CB 4.42Å; C261-L278 WeakPolarHBondContact O-CB 3.31Å; C261-L278 PolarHBondContact O-N 2.67Å; C261-F279 HydrophobicContact CB-CD1 4.14Å; C261-F279 HydrophobicContact CB-CE1 3.84Å; C261-F279 HydrophobicContact CB-CE2 4.41Å; C261-F279 HydrophobicContact CB-CZ 3.98Å; C261-F279 PolarHBondContact N-O 3.11Å; C261-F279 PolarHBondContact O-N 2.85Å; C261-F279 WeakPolarHBondContact SG-CZ 3.34Å
262	Y	98.4	Very high	91.2	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	159.8	178.9	-52.4	-84	0	0	0	110.6	W219 P231 Y232 L234 A248 I249 V251 V260 A264 E276 L278	W219-Y262 HydrophobicContact CZ2-CD2 4.37Å; W219-Y262 AromaticContact NE1-CD1 3.77Å; W219-Y262 AromaticContact NE1-CD2 3.35Å; W219-Y262 AromaticContact NE1-CE1 3.98Å; W219-Y262 AromaticContact NE1-CE2 3.55Å; W219-Y262 AromaticContact NE1-CG 3.47Å; W219-Y262 AromaticContact NE1-CZ 3.86Å; P231-Y262 WeakPolarHBondContact O-CE1 3.35Å; P231-Y262 PolarHBondContact O-OH 2.94Å; Y232-Y262 HydrophobicContact CD1-CD1 4.46Å; Y232-Y262 AromaticContact CD1-CE1 3.74Å; Y232-Y262 HydrophobicContact CD1-CE1 3.74Å; Y232-Y262 HydrophobicContact CE1-CD1 4.01Å; Y232-Y262 AromaticContact CE1-CE1 3.69Å; Y232-Y262 HydrophobicContact CE1-CE1 3.69Å; L234-Y262 WeakPolarHBondContact CD2-OH 3.46Å; A248-Y262 CarbonylContact C-O 3.56Å; A248-Y262 WeakPolarHBondContact CA-O 3.43Å; I249-Y262 WeakPolarHBondContact CG2-O 3.12Å; I249-Y262 PolarHBondContact N-O 2.87Å; I249-Y262 PolarHBondContact O-N 3.23Å; V251-Y262 HydrophobicContact CG2-CD2 4.03Å; V251-Y262 HydrophobicContact CG2-CE2 3.82Å; V260-Y262 HydrophobicContact CB-CE2 4.17Å; V260-Y262 HydrophobicContact CG1-CE1 3.93Å; V260-Y262 HydrophobicContact CG1-CE2 3.93Å; V260-Y262 WeakPolarHBondContact CG1-OH 3.24Å; Y262-A264 PolarHBondContact O-N 2.63Å; Y262-E276 CarbonylContact C-O 3.52Å; Y262-E276 WeakPolarHBondContact CA-O 3.44Å; Y262-E276 WeakPolarHBondContact CB-O 3.44Å; Y262-L278 VanDerWaalsContact C-CD1 3.43Å; Y262-L278 WeakPolarHBondContact O-CD1 3.39Å
263	T	97.6	Very high	90.7	Very high	22 Å²	22	41.1 Å²	41.1	14%	0.135	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	121.6	167.3	-52.9	0	0	0	0	109.2	D247 G265 T274 G275 E276 L278	D247-T263 CarbonylContact O-C 3.58Å; D247-T263 WeakPolarHBondContact O-CA 3.36Å; T263-G265 VanDerWaalsContact C-N 3.3Å; T263-T274 CarbonylContact O-C 3.6Å; T263-T274 WeakPolarHBondContact O-CA 3.32Å; T263-G275 PolarHBondContact O-N 3.44Å; T263-E276 PolarHBondContact N-O 3.3Å; T263-L278 WeakPolarHBondContact OG1-CD2 3.45Å
264	A	97	Very high	90.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.226	C	C	.	.			trans	-71.4	-29.2	176.1	0	0	0	0	0	111.2	F196 K208 L242 D247 I249 Y262 L266 T274	F196-A264 HydrophobicContact CE1-CB 4.31Å; F196-A264 WeakPolarHBondContact CE1-O 3.46Å; F196-A264 HydrophobicContact CZ-CB 3.9Å; F196-A264 WeakPolarHBondContact CZ-O 3.25Å; K208-A264 PolarHBondContact NZ-O 2.86Å; L242-A264 HydrophobicContact CD1-CB 3.67Å; D247-A264 PolarHBondContact O-N 2.88Å; D247-A264 WeakPolarHBondContact OD1-CB 3.46Å; I249-A264 HydrophobicContact CB-CB 4.2Å; I249-A264 HydrophobicContact CG2-CB 4.17Å; Y262-A264 PolarHBondContact O-N 2.63Å; A264-L266 HydrophobicContact CB-CD1 4.38Å; A264-L266 HydrophobicContact CB-CD2 4.26Å; A264-L266 HydrophobicContact CB-CG 3.87Å; A264-T274 WeakPolarHBondContact O-CG2 3.2Å; A264-T274 PolarHBondContact O-OG1 2.86Å
265	G	95.7	Very high	90.5	Very high	9 Å²	9	40 Å²	40	9%	0.093	22%	0.223	C	C	.	.			trans	68.7	44.3	179.5	0	0	0	0	0	111.1	K208 D247 T263 T274	K208-G265 PolarHBondContact NZ-O 2.83Å; D247-G265 PolarHBondContact OD1-N 3.5Å; D247-G265 WeakPolarHBondContact OD2-CA 3.21Å; D247-G265 PolarHBondContact OD2-N 3.23Å; T263-G265 VanDerWaalsContact C-N 3.3Å; G265-T274 WeakPolarHBondContact CA-OG1 3.18Å
266	L	94.2	Very high	90.5	Very high	12 Å²	12	43.1 Å²	43.1	6%	0.063	24%	0.237	C	C	.	.	S	Bend	trans	-77.9	-33.8	177.7	-59.4	-178.8	0	0	0	111.6	N192 Q194 F196 L242 E244 D247 A264	N192-L266 PolarHBondContact ND2-O 3.37Å; Q194-L266 HydrophobicContact CB-CD2 4.37Å; F196-L266 HydrophobicContact CE2-CD2 3.88Å; F196-L266 HydrophobicContact CZ-CD2 3.89Å; L242-L266 HydrophobicContact CD1-CD1 4.37Å; L242-L266 HydrophobicContact CD2-CD1 4.26Å; E244-L266 HydrophobicContact CB-CD1 4Å; E244-L266 HydrophobicContact CG-CD1 3.72Å; D247-L266 WeakPolarHBondContact OD1-CB 3.48Å; D247-L266 WeakPolarHBondContact OD1-CG 3.37Å; D247-L266 PolarHBondContact OD1-N 2.94Å; D247-L266 PolarHBondContact OD2-N 3.11Å; A264-L266 HydrophobicContact CB-CD1 4.38Å; A264-L266 HydrophobicContact CB-CD2 4.26Å; A264-L266 HydrophobicContact CB-CG 3.87Å
267	Y	89.9	Confident	90.5	Very high	134 Å²	134	46.5 Å²	46.5	53%	0.525	25%	0.25	S	C	.	.	S	Bend	trans	-117.7	-7.6	-172.3	-48.6	-55.7	0	0	0	114.4	E244 D247 T269	E244-Y267 WeakPolarHBondContact O-CE2 3.34Å; E244-Y267 PolarHBondContact O-OH 3.06Å; D247-Y267 HydrophobicContact CB-CD2 4.13Å; D247-Y267 HydrophobicContact CB-CE2 4.43Å; Y267-T269 PolarHBondContact O-N 3.12Å
268	S	78.1	Confident	90.5	Very high	50 Å²	50	46 Å²	46	35%	0.35	25%	0.251	S	S	.	.			trans	-65.4	137.4	-174.5	-172.5	0	0	0	0	112.5	T270 S273	S268-T270 PolarHBondContact OG-N 2.82Å; S268-T270 PolarHBondContact OG-O 3.05Å; S268-T270 PolarHBondContact OG-OG1 2.82Å; S268-S273 WeakPolarHBondContact CB-OG 3.39Å; S268-S273 PolarHBondContact OG-OG 3.12Å
269	T	70.1	Confident	90.5	Very high	142 Å²	142	46.7 Å²	46.7	87%	0.871	25%	0.253	S	S	*	.	S	Bend	trans	-78	-13.3	168.2	57.3	0	0	0	0	112.2	Y267	Y267-T269 PolarHBondContact O-N 3.12Å
270	T	70.6	Confident	90.4	Very high	77 Å²	77	48.7 Å²	48.7	47%	0.472	26%	0.263	S	S	.	.	S	Bend	trans	-89.2	118.9	171.7	63.5	0	0	0	0	109.4	S268 D272 S273	S268-T270 PolarHBondContact OG-N 2.82Å; S268-T270 PolarHBondContact OG-O 3.05Å; S268-T270 PolarHBondContact OG-OG1 2.82Å; T270-D272 PolarHBondContact O-N 2.95Å; T270-S273 PolarHBondContact O-N 2.76Å; T270-S273 PolarHBondContact O-OG 3.47Å
271	P	64.3	Low	90.4	Very high	119 Å²	119	49.5 Å²	49.5	77%	0.773	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-22.8	-177.3	-26.8	34.4	0	0	0	114.6
272	D	76.8	Confident	90.2	Very high	116 Å²	116	55.5 Å²	55.5	62%	0.62	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.1	2.2	-168.2	-67.7	-38.9	0	0	0	115.5	K217 T270 T274	K217-D272 PolarHBondContact NZ-O 2.86Å; T270-D272 PolarHBondContact O-N 2.95Å; D272-T274 VanDerWaalsContact C-N 3.26Å; D272-T274 PolarHBondContact O-N 3.35Å
273	S	89.4	Confident	90	Very high	7 Å²	7	55.7 Å²	55.7	5%	0.049	29%	0.293	C	S	.	.			trans	-62.7	-25.3	-178.6	54.9	0	0	0	0	115.1	S268 T270 G275 E276	S268-S273 WeakPolarHBondContact CB-OG 3.39Å; S268-S273 PolarHBondContact OG-OG 3.12Å; T270-S273 PolarHBondContact O-N 2.76Å; T270-S273 PolarHBondContact O-OG 3.47Å; S273-G275 PolarHBondContact O-N 3.48Å; S273-E276 WeakPolarHBondContact O-CG 3.25Å; S273-E276 PolarHBondContact O-N 2.73Å
274	T	95.7	Very high	89.7	Confident	5 Å²	5	58.8 Å²	58.8	3%	0.031	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	133.7	178.3	-67.6	0	0	0	0	111.5	F196 K208 K217 W219 T263 A264 G265 D272	F196-T274 HydrophobicContact CE1-CG2 4.3Å; K208-T274 HydrophobicContact CB-CG2 4.42Å; K208-T274 HydrophobicContact CD-CG2 3.57Å; K208-T274 PolarHBondContact NZ-OG1 2.94Å; K217-T274 HydrophobicContact CD-CG2 4.45Å; K217-T274 WeakPolarHBondContact CD-O 3.32Å; K217-T274 WeakPolarHBondContact CE-O 3.44Å; K217-T274 PolarHBondContact NZ-O 2.94Å; W219-T274 HydrophobicContact CE3-CG2 4.07Å; W219-T274 HydrophobicContact CH2-CG2 3.7Å; W219-T274 HydrophobicContact CZ3-CG2 3.36Å; T263-T274 CarbonylContact O-C 3.6Å; T263-T274 WeakPolarHBondContact O-CA 3.32Å; A264-T274 WeakPolarHBondContact O-CG2 3.2Å; A264-T274 PolarHBondContact O-OG1 2.86Å; G265-T274 WeakPolarHBondContact CA-OG1 3.18Å; D272-T274 VanDerWaalsContact C-N 3.26Å; D272-T274 PolarHBondContact O-N 3.35Å
275	G	97	Very high	89.4	Confident	5 Å²	5	63.7 Å²	63.7	5%	0.052	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	83	10.4	175.5	0	0	0	0	0	113.7	Y232 T263 S273	Y232-G275 VanDerWaalsContact CE1-O 3.25Å; Y232-G275 WeakPolarHBondContact CE1-O 3.26Å; T263-G275 PolarHBondContact O-N 3.44Å; S273-G275 PolarHBondContact O-N 3.48Å
276	E	96.5	Very high	89.3	Confident	106 Å²	106	70.7 Å²	70.7	50%	0.495	36%	0.364	S	S	.	.			trans	-69.6	134.2	167.7	-72.2	178.8	173.2	0	0	110.2	Y262 T263 S273	Y262-E276 CarbonylContact C-O 3.52Å; Y262-E276 WeakPolarHBondContact CA-O 3.44Å; Y262-E276 WeakPolarHBondContact CB-O 3.44Å; T263-E276 PolarHBondContact N-O 3.3Å; S273-E276 WeakPolarHBondContact O-CG 3.25Å; S273-E276 PolarHBondContact O-N 2.73Å
277	Y	97.7	Very high	89.3	Confident	89 Å²	89	70.7 Å²	70.7	35%	0.349	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	132.3	179.4	171.4	-98	0	0	0	112.4	P231 Y232 V260 F279 E280	P231-Y277 HydrophobicContact CB-CD1 4.44Å; P231-Y277 HydrophobicContact CB-CD2 3.3Å; P231-Y277 HydrophobicContact CB-CE2 3.74Å; P231-Y277 HydrophobicContact CB-CG 3.68Å; Y232-Y277 PolarHBondContact OH-N 2.92Å; Y232-Y277 VanDerWaalsContact OH-N 3.15Å; V260-Y277 HydrophobicContact CG1-CD2 3.93Å; V260-Y277 HydrophobicContact CG1-CE2 3.96Å; Y277-F279 VanDerWaalsContact CE2-C 3.48Å; Y277-F279 VanDerWaalsContact CZ-CA 3.46Å; Y277-F279 WeakPolarHBondContact OH-CA 3.45Å; Y277-E280 HydrophobicContact CE2-CB 4.27Å; Y277-E280 PolarHBondContact OH-N 2.91Å
278	L	97.3	Very high	89.6	Confident	72 Å²	72	69.4 Å²	69.4	38%	0.377	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	-67.4	172.4	-62.5	174.6	0	0	0	110.7	A248 C261 Y262 T263	A248-L278 HydrophobicContact CB-CD1 3.66Å; C261-L278 HydrophobicContact CB-CB 4.42Å; C261-L278 WeakPolarHBondContact O-CB 3.31Å; C261-L278 PolarHBondContact O-N 2.67Å; Y262-L278 VanDerWaalsContact C-CD1 3.43Å; Y262-L278 WeakPolarHBondContact O-CD1 3.39Å; T263-L278 WeakPolarHBondContact OG1-CD2 3.45Å
279	F	98	Very high	90.6	Very high	15 Å²	15	67 Å²	67	7%	0.066	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	173.3	-179.4	67.8	-89.8	0	0	0	111.2	C261 Y277 I301 F321 Q324	C261-F279 HydrophobicContact CB-CD1 4.14Å; C261-F279 HydrophobicContact CB-CE1 3.84Å; C261-F279 HydrophobicContact CB-CE2 4.41Å; C261-F279 HydrophobicContact CB-CZ 3.98Å; C261-F279 PolarHBondContact N-O 3.11Å; C261-F279 PolarHBondContact O-N 2.85Å; C261-F279 WeakPolarHBondContact SG-CZ 3.34Å; Y277-F279 VanDerWaalsContact CE2-C 3.48Å; Y277-F279 VanDerWaalsContact CZ-CA 3.46Å; Y277-F279 WeakPolarHBondContact OH-CA 3.45Å; F279-I301 HydrophobicContact CE2-CD1 4.19Å; F279-I301 HydrophobicContact CZ-CD1 4.02Å; F279-F321 HydrophobicContact CE1-CD2 4.18Å; F279-F321 HydrophobicContact CE1-CE1 4.33Å; F279-F321 AromaticContact CE1-CE2 3.7Å; F279-F321 HydrophobicContact CE1-CE2 3.7Å; F279-F321 AromaticContact CE1-CZ 3.79Å; F279-F321 HydrophobicContact CE1-CZ 3.79Å; F279-F321 AromaticContact CZ-CD2 3.82Å; F279-F321 HydrophobicContact CZ-CD2 3.82Å; F279-F321 AromaticContact CZ-CE2 3.73Å; F279-F321 HydrophobicContact CZ-CE2 3.73Å; F279-F321 HydrophobicContact CZ-CG 4.41Å; F279-F321 HydrophobicContact CZ-CZ 4.27Å; F279-Q324 HydrophobicContact CD2-CG 3.88Å; F279-Q324 HydrophobicContact CE2-CG 4.1Å; F279-Q324 HydrophobicContact CG-CG 4.25Å
280	E	97.8	Very high	91.9	Very high	42 Å²	42	61.1 Å²	61.1	20%	0.196	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	142.8	170.6	67.7	-177.4	173.5	0	0	111.2	R258 I259 V260 Y277 K282	R258-E280 VanDerWaalsContact CD-OE2 3.32Å; R258-E280 WeakPolarHBondContact CD-OE2 3.48Å; R258-E280 IonicContact CZ-OE2 2.9Å; R258-E280 IonicContact NE-OE2 3.34Å; R258-E280 IonicContact NH1-OE2 2.92Å; R258-E280 PolarHBondContact NH1-OE2 3.27Å; I259-E280 CarbonylContact O-C 3.37Å; I259-E280 WeakPolarHBondContact O-CA 3.23Å; I259-E280 WeakPolarHBondContact O-CB 3.25Å; V260-E280 HydrophobicContact CG2-CB 4.27Å; Y277-E280 HydrophobicContact CE2-CB 4.27Å; Y277-E280 PolarHBondContact OH-N 2.91Å; E280-K282 HydrophobicContact CG-CG 4.49Å; E280-K282 WeakPolarHBondContact OE1-CE 3.5Å; E280-K282 IonicContact OE1-NZ 2.75Å; E280-K282 PolarHBondContact OE1-NZ 2.97Å
281	Y	97.6	Very high	93.2	Very high	18 Å²	18	57.5 Å²	57.5	7%	0.071	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	117.1	165.8	172.8	-100.3	0	0	0	109	R258 I259 P284 E317 I319	R258-Y281 CarbonylContact C-O 3.5Å; R258-Y281 WeakPolarHBondContact CA-O 3.49Å; R258-Y281 VanDerWaalsContact CB-O 3.24Å; R258-Y281 WeakPolarHBondContact CB-O 3.49Å; I259-Y281 PolarHBondContact N-O 3.49Å; I259-Y281 PolarHBondContact O-N 3Å; Y281-P284 WeakPolarHBondContact OH-CD 3.34Å; Y281-E317 WeakPolarHBondContact CE1-OE2 3.43Å; Y281-E317 PolarHBondContact OH-OE2 3.27Å; Y281-I319 HydrophobicContact CD1-CD1 4.16Å; Y281-I319 HydrophobicContact CD1-CG1 4.26Å; Y281-I319 HydrophobicContact CD2-CG1 3.94Å; Y281-I319 HydrophobicContact CD2-CG2 4.04Å; Y281-I319 HydrophobicContact CE1-CD1 3.94Å; Y281-I319 HydrophobicContact CE1-CG1 4.05Å; Y281-I319 HydrophobicContact CE2-CG1 3.71Å; Y281-I319 HydrophobicContact CE2-CG2 4.38Å; Y281-I319 HydrophobicContact CG-CG1 4.2Å
282	K	95.4	Very high	94.9	Very high	126 Å²	126	51.8 Å²	51.8	55%	0.548	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	124.7	175.7	-70.8	-179.1	176.6	151.2	0	109.9	R258 E280 P284	R258-K282 HydrophobicContact CB-CG 4.47Å; E280-K282 HydrophobicContact CG-CG 4.49Å; E280-K282 WeakPolarHBondContact OE1-CE 3.5Å; E280-K282 IonicContact OE1-NZ 2.75Å; E280-K282 PolarHBondContact OE1-NZ 2.97Å; K282-P284 WeakPolarHBondContact O-CD 3.47Å
283	Q	93.2	Very high	95.9	Very high	3 Å²	3	46.4 Å²	46.4	1%	0.014	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-62.8	122.7	176.8	-156.5	-76.5	-37	0	0	109.3	K257 E285 K286 I289 V305 E317	K257-Q283 WeakPolarHBondContact O-CB 3.49Å; K257-Q283 PolarHBondContact O-N 3.04Å; K257-Q283 VanDerWaalsContact O-N 3.14Å; Q283-E285 VanDerWaalsContact C-N 3.29Å; Q283-E285 PolarHBondContact O-N 3.44Å; Q283-K286 PolarHBondContact O-N 2.89Å; Q283-I289 HydrophobicContact CB-CD1 4.15Å; Q283-I289 HydrophobicContact CB-CG1 4.36Å; Q283-I289 HydrophobicContact CG-CG1 4.48Å; Q283-V305 HydrophobicContact CG-CG1 3.9Å; Q283-V305 HydrophobicContact CG-CG2 4.1Å; Q283-E317 PolarHBondContact NE2-OE1 2.88Å
284	P	91.1	Very high	96.3	Very high	87 Å²	87	46.3 Å²	46.3	57%	0.565	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-37.1	-170.9	-28.9	35.2	0	0	0	114.5	Y281 K282 K286	Y281-P284 WeakPolarHBondContact OH-CD 3.34Å; K282-P284 WeakPolarHBondContact O-CD 3.47Å; P284-K286 VanDerWaalsContact C-N 3.3Å
285	E	91.3	Very high	96.1	Very high	103 Å²	103	46.2 Å²	46.2	48%	0.481	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	6.1	-179.9	-62.3	166.9	-164.8	0	0	112.6	Q283 R287	Q283-E285 VanDerWaalsContact C-N 3.29Å; Q283-E285 PolarHBondContact O-N 3.44Å; E285-R287 VanDerWaalsContact C-N 3.29Å; E285-R287 HydrophobicContact CB-CG 4.05Å; E285-R287 PolarHBondContact O-N 2.66Å; E285-R287 IonicContact OE1-NH2 2.66Å; E285-R287 IonicContact OE2-CZ 3.48Å; E285-R287 IonicContact OE2-NE 2.67Å; E285-R287 PolarHBondContact OE2-NE 2.98Å; E285-R287 IonicContact OE2-NH2 3.17Å; E285-R287 PolarHBondContact OE2-NH2 3.34Å
286	K	92.5	Very high	95.8	Very high	156 Å²	156	48.3 Å²	48.3	68%	0.678	23%	0.226	S	C	*	.			trans	51.5	43.3	-177.2	-57.6	-175.7	179.3	-176.6	0	113.4	K257 Q283 P284	K257-K286 HydrophobicContact CD-CB 4.3Å; K257-K286 WeakPolarHBondContact CD-O 3.36Å; K257-K286 WeakPolarHBondContact CE-O 3.07Å; K257-K286 VanDerWaalsContact CG-O 3.29Å; K257-K286 WeakPolarHBondContact CG-O 3.29Å; K257-K286 PolarHBondContact NZ-O 2.74Å; Q283-K286 PolarHBondContact O-N 2.89Å; P284-K286 VanDerWaalsContact C-N 3.3Å
287	R	94.7	Very high	95.4	Very high	12 Å²	12	46.9 Å²	46.9	5%	0.045	23%	0.228	C	C	.	.			trans	-93.6	151.2	175.4	-64.3	-167.9	-73.8	152.9	-26.8	111.9	K257 E285 V305 G306 T308 N313	K257-R287 WeakPolarHBondContact CA-O 3.45Å; K257-R287 WeakPolarHBondContact CB-O 2.86Å; K257-R287 WeakPolarHBondContact CG-O 3.32Å; E285-R287 VanDerWaalsContact C-N 3.29Å; E285-R287 HydrophobicContact CB-CG 4.05Å; E285-R287 PolarHBondContact O-N 2.66Å; E285-R287 IonicContact OE1-NH2 2.66Å; E285-R287 IonicContact OE2-CZ 3.48Å; E285-R287 IonicContact OE2-NE 2.67Å; E285-R287 PolarHBondContact OE2-NE 2.98Å; E285-R287 IonicContact OE2-NH2 3.17Å; E285-R287 PolarHBondContact OE2-NH2 3.34Å; R287-V305 HydrophobicContact CB-CG1 3.56Å; R287-G306 WeakPolarHBondContact CD-O 3.47Å; R287-G306 PolarHBondContact NH1-O 2.82Å; R287-T308 HydrophobicContact CG-CG2 4.41Å; R287-N313 PolarHBondContact NH1-O 3.15Å; R287-N313 PolarHBondContact NH1-OD1 3.31Å
288	R	97.1	Very high	95.1	Very high	108 Å²	108	43.9 Å²	43.9	41%	0.408	22%	0.218	S	C	.	.			trans	-60.2	137.2	-179.4	-72.5	171.1	171.1	161	-6.4	110.1	R254 E255 Y290 G306	R254-R288 HydrophobicContact CG-CB 4.22Å; R254-R288 WeakPolarHBondContact O-CA 3.19Å; E255-R288 VanDerWaalsContact CD-NE 3.27Å; E255-R288 WeakPolarHBondContact OE1-CD 3.25Å; E255-R288 IonicContact OE1-CZ 2.86Å; E255-R288 IonicContact OE1-NE 2.74Å; E255-R288 PolarHBondContact OE1-NE 3.11Å; E255-R288 IonicContact OE1-NH2 3.12Å; E255-R288 IonicContact OE2-CZ 2.89Å; E255-R288 IonicContact OE2-NE 2.72Å; E255-R288 PolarHBondContact OE2-NE 3.43Å; E255-R288 IonicContact OE2-NH2 2.96Å; E255-R288 PolarHBondContact OE2-NH2 3.39Å; R288-Y290 HydrophobicContact CB-CD2 4.06Å; R288-Y290 HydrophobicContact CB-CE2 3.64Å; R288-G306 PolarHBondContact O-N 2.63Å
289	I	98.1	Very high	94.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	111.5	172.3	-60.1	-171.9	0	0	0	107.8	A252 R254 I259 Q283 G291 A303 L304	A252-I289 HydrophobicContact CB-CG2 3.93Å; R254-I289 WeakPolarHBondContact CA-O 3.08Å; R254-I289 VanDerWaalsContact CB-O 3.23Å; R254-I289 WeakPolarHBondContact CB-O 3.12Å; R254-I289 WeakPolarHBondContact CG-O 3.47Å; R254-I289 PolarHBondContact O-N 3.02Å; I259-I289 HydrophobicContact CD1-CD1 4.33Å; I259-I289 HydrophobicContact CD1-CG2 4.42Å; I259-I289 HydrophobicContact CG1-CD1 3.86Å; I259-I289 HydrophobicContact CG1-CG2 4.08Å; Q283-I289 HydrophobicContact CB-CD1 4.15Å; Q283-I289 HydrophobicContact CB-CG1 4.36Å; Q283-I289 HydrophobicContact CG-CG1 4.48Å; I289-G291 WeakPolarHBondContact CG2-O 3.31Å; I289-A303 HydrophobicContact CD1-CB 4.48Å; I289-A303 HydrophobicContact CG2-CB 4.44Å; I289-L304 CarbonylContact C-O 3.56Å; I289-L304 WeakPolarHBondContact CA-O 3.27Å
290	Y	98	Very high	94.7	Very high	18 Å²	18	44.1 Å²	44.1	7%	0.071	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	-31.8	-177.9	-77.5	-106.4	0	0	0	111.5	H238 R254 R288 L304 V341	H238-Y290 PolarHBondContact ND1-O 2.04Å; R254-Y290 VanDerWaalsContact CZ-CE1 3.44Å; R254-Y290 PolarHBondContact NH2-OH 2.9Å; R288-Y290 HydrophobicContact CB-CD2 4.06Å; R288-Y290 HydrophobicContact CB-CE2 3.64Å; Y290-L304 PolarHBondContact N-O 3.14Å; Y290-V341 WeakPolarHBondContact CD1-O 3.36Å; Y290-V341 HydrophobicContact CD2-CG2 4.16Å; Y290-V341 VanDerWaalsContact CE1-O 3.31Å; Y290-V341 WeakPolarHBondContact CE1-O 3.43Å; Y290-V341 HydrophobicContact CG-CG2 4.32Å
291	G	98.4	Very high	94.7	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	152.2	-174.4	0	0	0	0	0	112.7	I289 L304	I289-G291 WeakPolarHBondContact CG2-O 3.31Å; G291-L304 PolarHBondContact N-O 2.73Å; G291-L304 PolarHBondContact O-N 2.76Å
292	V	98.7	Very high	94.7	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	131.6	169.2	61.5	0	0	0	0	107.9	Q239 C250 A252 I259 I301 F302	Q239-V292 WeakPolarHBondContact O-CG1 3.25Å; C250-V292 HydrophobicContact CB-CG2 4.37Å; A252-V292 HydrophobicContact CB-CB 4.19Å; A252-V292 HydrophobicContact CB-CG1 3.93Å; I259-V292 HydrophobicContact CD1-CB 4.12Å; I259-V292 HydrophobicContact CD1-CG2 3.75Å; I259-V292 HydrophobicContact CG1-CB 4.36Å; I259-V292 HydrophobicContact CG1-CG2 4.28Å; I259-V292 HydrophobicContact CG2-CG2 4.2Å; V292-I301 HydrophobicContact CG2-CG2 3.64Å; V292-F302 WeakPolarHBondContact CA-O 3.19Å
293	A	98.4	Very high	94.9	Very high	3 Å²	3	35.3 Å²	35.3	3%	0.025	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	145.7	169.3	0	0	0	0	0	109	F302 I344 T346	A293-F302 PolarHBondContact N-O 3.22Å; A293-F302 PolarHBondContact O-N 2.88Å; A293-I344 HydrophobicContact CB-CG1 4.36Å; A293-I344 HydrophobicContact CB-CG2 3.98Å; A293-T346 HydrophobicContact CB-CG2 3.89Å
294	I	97.2	Very high	95.1	Very high	5 Å²	5	35.1 Å²	35.1	3%	0.026	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	133.8	177.3	-56.6	175	0	0	0	107.2	S241 L243 C250 L300 I301 F321 T346	S241-I294 WeakPolarHBondContact OG-CB 3.47Å; S241-I294 WeakPolarHBondContact OG-CG1 3.19Å; S241-I294 PolarHBondContact OG-N 2.79Å; L243-I294 HydrophobicContact CB-CD1 4.27Å; L243-I294 HydrophobicContact CB-CG2 4.32Å; L243-I294 HydrophobicContact CD1-CG2 3.98Å; L243-I294 HydrophobicContact CD2-CG2 4.24Å; L243-I294 HydrophobicContact CG-CG2 4.43Å; C250-I294 HydrophobicContact CB-CD1 3.95Å; I294-L300 WeakPolarHBondContact CA-O 3.49Å; I294-I301 HydrophobicContact CD1-CG1 4.21Å; I294-I301 HydrophobicContact CG1-CB 4.41Å; I294-I301 HydrophobicContact CG1-CG1 4.1Å; I294-I301 HydrophobicContact CG1-CG2 4.3Å; I294-F321 HydrophobicContact CD1-CD2 4.48Å; I294-T346 PolarHBondContact O-OG1 2.98Å; I294-T346 VanDerWaalsContact O-OG1 3.12Å
295	E	91.7	Very high	95.5	Very high	3 Å²	3	31 Å²	31	1%	0.014	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	115.3	167.4	-166	-70.8	126.5	0	0	108.3	S297 T298 R299 L300 F302 T346 Y349 T354	E295-S297 VanDerWaalsContact C-N 3.33Å; E295-S297 VanDerWaalsContact CD-N 3.29Å; E295-S297 PolarHBondContact O-N 2.83Å; E295-S297 WeakPolarHBondContact OE1-CB 3.16Å; E295-S297 PolarHBondContact OE1-N 3.04Å; E295-S297 PolarHBondContact OE1-OG 2.56Å; E295-S297 WeakPolarHBondContact OE2-CB 3.48Å; E295-S297 PolarHBondContact OE2-N 3.21Å; E295-T298 PolarHBondContact O-N 2.88Å; E295-T298 PolarHBondContact O-OG1 3.41Å; E295-T298 VanDerWaalsContact OE2-CB 3.23Å; E295-T298 WeakPolarHBondContact OE2-CB 3.48Å; E295-T298 WeakPolarHBondContact OE2-CG2 3.49Å; E295-T298 PolarHBondContact OE2-N 2.97Å; E295-T298 PolarHBondContact OE2-OG1 2.82Å; E295-R299 PolarHBondContact O-N 2.84Å; E295-L300 PolarHBondContact N-O 2.82Å; E295-F302 HydrophobicContact CB-CE2 4.27Å; E295-T346 HydrophobicContact CB-CG2 3.98Å; E295-Y349 WeakPolarHBondContact OE1-CB 3.46Å; E295-T354 HydrophobicContact CG-CG2 4.4Å
296	P	91.4	Very high	95.7	Very high	48 Å²	48	26.1 Å²	26.1	31%	0.312	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-38.1	-170.6	-29.6	36.7	0	0	0	115.6	L243 T298 R299	L243-P296 HydrophobicContact CD1-CB 3.94Å; L243-P296 HydrophobicContact CD1-CG 4.39Å; P296-T298 PolarHBondContact O-N 2.89Å; P296-R299 WeakPolarHBondContact O-CG 3.48Å
297	S	88.5	Confident	95.6	Very high	77 Å²	77	20.6 Å²	20.6	54%	0.538	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-34	-173	-44	0	0	0	0	112.5	E295 Y349	E295-S297 VanDerWaalsContact C-N 3.33Å; E295-S297 VanDerWaalsContact CD-N 3.29Å; E295-S297 PolarHBondContact O-N 2.83Å; E295-S297 WeakPolarHBondContact OE1-CB 3.16Å; E295-S297 PolarHBondContact OE1-N 3.04Å; E295-S297 PolarHBondContact OE1-OG 2.56Å; E295-S297 WeakPolarHBondContact OE2-CB 3.48Å; E295-S297 PolarHBondContact OE2-N 3.21Å; S297-Y349 WeakPolarHBondContact OG-CB 3.49Å
298	T	90.3	Very high	95.3	Very high	25 Å²	25	22.7 Å²	22.7	15%	0.153	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-18.9	-179.6	58	0	0	0	0	112	E295 P296 L300 Y349 F406	E295-T298 PolarHBondContact O-N 2.88Å; E295-T298 PolarHBondContact O-OG1 3.41Å; E295-T298 VanDerWaalsContact OE2-CB 3.23Å; E295-T298 WeakPolarHBondContact OE2-CB 3.48Å; E295-T298 WeakPolarHBondContact OE2-CG2 3.49Å; E295-T298 PolarHBondContact OE2-N 2.97Å; E295-T298 PolarHBondContact OE2-OG1 2.82Å; P296-T298 PolarHBondContact O-N 2.89Å; T298-L300 PolarHBondContact O-N 3.36Å; T298-Y349 HydrophobicContact CG2-CD2 4Å; T298-Y349 HydrophobicContact CG2-CE2 4.24Å; T298-F406 HydrophobicContact CG2-CD1 4.41Å; T298-F406 HydrophobicContact CG2-CD2 4.13Å; T298-F406 HydrophobicContact CG2-CE1 3.88Å; T298-F406 HydrophobicContact CG2-CE2 3.54Å; T298-F406 HydrophobicContact CG2-CZ 3.41Å; T298-F406 VanDerWaalsContact CG2-CZ 3.41Å
299	R	93	Very high	94.6	Very high	85 Å²	85	25 Å²	25	32%	0.321	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	31.5	-175.3	-53.1	171.4	177.8	-132.4	-16.7	112	E246 E295 P296 F321	E246-R299 IonicContact OE1-CZ 3.21Å; E246-R299 IonicContact OE1-NH1 2.84Å; E246-R299 PolarHBondContact OE1-NH1 3.17Å; E246-R299 IonicContact OE1-NH2 3.53Å; E246-R299 PolarHBondContact OE1-NH2 3.11Å; E295-R299 PolarHBondContact O-N 2.84Å; P296-R299 WeakPolarHBondContact O-CG 3.48Å; R299-F321 HydrophobicContact CB-CB 4.19Å; R299-F321 WeakPolarHBondContact O-CB 3.39Å; R299-F321 PolarHBondContact O-N 3.33Å
300	L	94.7	Very high	93.8	Very high	7 Å²	7	32 Å²	32	4%	0.037	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	132.3	175.1	-62.2	-175.4	0	0	0	110.1	F45 I294 E295 T298 F302 I318 D320 I327 F406	F45-L300 HydrophobicContact CE1-CD1 4.19Å; I294-L300 WeakPolarHBondContact CA-O 3.49Å; E295-L300 PolarHBondContact N-O 2.82Å; T298-L300 PolarHBondContact O-N 3.36Å; L300-F302 HydrophobicContact CB-CE2 3.96Å; L300-F302 HydrophobicContact CB-CZ 3.99Å; L300-F302 HydrophobicContact CD1-CZ 4.43Å; L300-I318 HydrophobicContact CB-CG2 4.27Å; L300-I318 HydrophobicContact CD1-CG2 3.97Å; L300-I318 HydrophobicContact CG-CG2 4.48Å; L300-D320 HydrophobicContact CD2-CB 4.47Å; L300-I327 HydrophobicContact CD1-CD1 4.33Å; L300-I327 HydrophobicContact CD2-CD1 3.41Å; L300-I327 VanDerWaalsContact CD2-CD1 3.41Å; L300-I327 HydrophobicContact CD2-CG1 4.5Å; L300-F406 HydrophobicContact CD1-CE1 3.8Å; L300-F406 HydrophobicContact CD1-CZ 3.92Å
301	I	97.5	Very high	93.3	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	125.1	172	-49.5	176.4	0	0	0	108	I259 F279 V292 I294 I318 I319 F321	I259-I301 HydrophobicContact CD1-CG2 3.81Å; F279-I301 HydrophobicContact CE2-CD1 4.19Å; F279-I301 HydrophobicContact CZ-CD1 4.02Å; V292-I301 HydrophobicContact CG2-CG2 3.64Å; I294-I301 HydrophobicContact CD1-CG1 4.21Å; I294-I301 HydrophobicContact CG1-CB 4.41Å; I294-I301 HydrophobicContact CG1-CG1 4.1Å; I294-I301 HydrophobicContact CG1-CG2 4.3Å; I301-I318 WeakPolarHBondContact O-CA 3.27Å; I301-I319 HydrophobicContact CB-CB 4.21Å; I301-I319 PolarHBondContact N-O 2.75Å; I301-I319 PolarHBondContact O-N 2.89Å; I301-F321 HydrophobicContact CD1-CB 4.29Å; I301-F321 HydrophobicContact CD1-CD2 3.83Å; I301-F321 HydrophobicContact CD1-CG 4.49Å; I301-F321 HydrophobicContact CG1-CB 4.15Å; I301-F321 HydrophobicContact CG1-CD2 4.09Å
302	F	98.2	Very high	92.7	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	109.9	172.7	-60.2	-84.4	0	0	0	108.9	V292 A293 E295 L300 V316 E317 I318 I344 T346 V356 L404	V292-F302 WeakPolarHBondContact CA-O 3.19Å; A293-F302 PolarHBondContact N-O 3.22Å; A293-F302 PolarHBondContact O-N 2.88Å; E295-F302 HydrophobicContact CB-CE2 4.27Å; L300-F302 HydrophobicContact CB-CE2 3.96Å; L300-F302 HydrophobicContact CB-CZ 3.99Å; L300-F302 HydrophobicContact CD1-CZ 4.43Å; F302-V316 HydrophobicContact CB-CG1 3.89Å; F302-V316 HydrophobicContact CD1-CG1 4.1Å; F302-E317 CarbonylContact C-O 3.59Å; F302-E317 WeakPolarHBondContact CA-O 3.21Å; F302-I318 HydrophobicContact CD1-CG1 3.95Å; F302-I318 HydrophobicContact CD1-CG2 4.47Å; F302-I318 HydrophobicContact CE1-CD1 4.11Å; F302-I318 HydrophobicContact CE1-CG1 3.91Å; F302-I318 HydrophobicContact CE1-CG2 4.04Å; F302-I344 HydrophobicContact CB-CD1 3.79Å; F302-T346 HydrophobicContact CD2-CG2 3.42Å; F302-T346 VanDerWaalsContact CD2-CG2 3.42Å; F302-T346 HydrophobicContact CE2-CG2 3.64Å; F302-T346 HydrophobicContact CG-CG2 4.36Å; F302-V356 HydrophobicContact CD1-CG1 4.44Å; F302-V356 HydrophobicContact CD1-CG2 3.64Å; F302-V356 HydrophobicContact CD2-CG2 4.21Å; F302-V356 HydrophobicContact CE1-CG2 3.5Å; F302-V356 VanDerWaalsContact CE1-CG2 3.5Å; F302-V356 HydrophobicContact CE2-CG2 4.08Å; F302-V356 HydrophobicContact CG-CG2 4Å; F302-V356 HydrophobicContact CZ-CG2 3.73Å; F302-L404 HydrophobicContact CE1-CD2 3.61Å; F302-L404 HydrophobicContact CZ-CD2 3.73Å
303	A	98.6	Very high	92.3	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	115.7	177.8	0	0	0	0	0	110	I259 I289 V305 V316 E317 I319	I259-A303 HydrophobicContact CD1-CB 3.48Å; I259-A303 VanDerWaalsContact CD1-CB 3.48Å; I289-A303 HydrophobicContact CD1-CB 4.48Å; I289-A303 HydrophobicContact CG2-CB 4.44Å; A303-V305 HydrophobicContact CB-CG2 4.44Å; A303-V305 PolarHBondContact O-N 2.92Å; A303-V316 CarbonylContact O-C 3.56Å; A303-V316 VanDerWaalsContact O-CA 3.29Å; A303-V316 WeakPolarHBondContact O-CA 3.42Å; A303-E317 HydrophobicContact CB-CB 4.23Å; A303-E317 PolarHBondContact N-O 2.99Å; A303-E317 PolarHBondContact O-N 3.07Å; A303-I319 HydrophobicContact CB-CD1 3.74Å
304	L	98.5	Very high	92.1	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	102	175.3	-176.1	64.9	0	0	0	109.4	I289 Y290 G291 V316 V341 I344 F358	I289-L304 CarbonylContact C-O 3.56Å; I289-L304 WeakPolarHBondContact CA-O 3.27Å; Y290-L304 PolarHBondContact N-O 3.14Å; G291-L304 PolarHBondContact N-O 2.73Å; G291-L304 PolarHBondContact O-N 2.76Å; L304-V316 HydrophobicContact CD1-CG2 3.93Å; L304-V341 HydrophobicContact CD1-CB 3.88Å; L304-V341 HydrophobicContact CD1-CG1 3.97Å; L304-V341 HydrophobicContact CD1-CG2 4.28Å; L304-V341 HydrophobicContact CD2-CB 3.91Å; L304-V341 HydrophobicContact CD2-CG2 4.44Å; L304-V341 HydrophobicContact CG-CB 3.86Å; L304-V341 HydrophobicContact CG-CG1 4.5Å; L304-V341 HydrophobicContact CG-CG2 4.02Å; L304-I344 HydrophobicContact CB-CB 4.06Å; L304-I344 HydrophobicContact CB-CD1 4.19Å; L304-I344 HydrophobicContact CB-CG2 3.99Å; L304-I344 HydrophobicContact CD2-CB 4.13Å; L304-F358 HydrophobicContact CD1-CB 4.17Å; L304-F358 HydrophobicContact CD1-CD2 4.08Å; L304-F358 HydrophobicContact CD1-CG 4.15Å; L304-F358 HydrophobicContact CD2-CB 4.3Å
305	V	98	Very high	92.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	125.3	-174.7	-172.2	0	0	0	0	109.6	Q283 R287 A303 S314 K315 E317	Q283-V305 HydrophobicContact CG-CG1 3.9Å; Q283-V305 HydrophobicContact CG-CG2 4.1Å; R287-V305 HydrophobicContact CB-CG1 3.56Å; A303-V305 HydrophobicContact CB-CG2 4.44Å; A303-V305 PolarHBondContact O-N 2.92Å; V305-S314 CarbonylContact O-C 3.39Å; V305-S314 WeakPolarHBondContact O-CA 3.4Å; V305-S314 WeakPolarHBondContact O-CB 3.06Å; V305-K315 HydrophobicContact CB-CG 4.15Å; V305-K315 PolarHBondContact N-O 3.47Å; V305-K315 PolarHBondContact O-N 3.19Å; V305-E317 HydrophobicContact CG2-CB 4.34Å; V305-E317 HydrophobicContact CG2-CG 3.93Å
306	G	95.3	Very high	92.4	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.01	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-75	173.3	177	0	0	0	0	0	113.8	R287 R288	R287-G306 WeakPolarHBondContact CD-O 3.47Å; R287-G306 PolarHBondContact NH1-O 2.82Å; R288-G306 PolarHBondContact O-N 2.63Å
307	S	92.2	Very high	92.7	Very high	40 Å²	40	37.5 Å²	37.5	28%	0.28	20%	0.195	S	C	.	.	P	Polyproline II helix	trans	-76.3	162.8	-174.9	-45	0	0	0	0	113.1	D312 N313 S314 D339	S307-D312 PolarHBondContact OG-OD1 3.39Å; S307-N313 WeakPolarHBondContact CA-OD1 3.49Å; S307-S314 WeakPolarHBondContact OG-CB 2.93Å; S307-S314 PolarHBondContact OG-N 3.47Å; S307-S314 PolarHBondContact OG-OG 3.3Å; S307-D339 PolarHBondContact OG-O 3.41Å
308	T	87.9	Confident	93	Very high	55 Å²	55	33.8 Å²	33.8	34%	0.337	17%	0.169	S	C	.	.	P	Polyproline II helix	trans	-74.8	171	165.3	68.2	0	0	0	0	111	R287 N310 E311 N313	R287-T308 HydrophobicContact CG-CG2 4.41Å; T308-N310 VanDerWaalsContact C-N 3.32Å; T308-N310 PolarHBondContact O-N 3.09Å; T308-E311 PolarHBondContact N-O 2.93Å; T308-E311 WeakPolarHBondContact OG1-CG 3.32Å; T308-E311 PolarHBondContact OG1-N 2.81Å; T308-E311 PolarHBondContact OG1-O 2.83Å; T308-E311 VanDerWaalsContact OG1-O 3.08Å; T308-N313 VanDerWaalsContact CG2-ND2 3.31Å; T308-N313 WeakPolarHBondContact CG2-ND2 3.47Å; T308-N313 PolarHBondContact N-OD1 2.88Å
309	F	81	Confident	93.3	Very high	157 Å²	157	32.7 Å²	32.7	69%	0.689	16%	0.162	S	C	*	.	S	Bend	trans	-66.5	-31.1	-179.1	-177.1	-99.1	0	0	0	113.8
310	N	83	Confident	93.4	Very high	148 Å²	148	30.3 Å²	30.3	79%	0.791	16%	0.156	S	C	*	.	S	Bend	trans	-100.2	-22.1	-170.1	-67.7	-35.8	0	0	0	114.1	T308	T308-N310 VanDerWaalsContact C-N 3.32Å; T308-N310 PolarHBondContact O-N 3.09Å
311	E	86.2	Confident	93.4	Very high	118 Å²	118	30.7 Å²	30.7	55%	0.551	16%	0.158	S	C	*	.	S	Bend	trans	-145.8	142	-175.2	57.1	176.4	-152.8	0	0	109.3	T308 N313	T308-E311 PolarHBondContact N-O 2.93Å; T308-E311 WeakPolarHBondContact OG1-CG 3.32Å; T308-E311 PolarHBondContact OG1-N 2.81Å; T308-E311 PolarHBondContact OG1-O 2.83Å; T308-E311 VanDerWaalsContact OG1-O 3.08Å; E311-N313 HydrophobicContact CG-CB 4.49Å; E311-N313 PolarHBondContact O-N 3.37Å; E311-N313 PolarHBondContact OE1-ND2 3.16Å
312	D	87.3	Confident	93.3	Very high	49 Å²	49	34.7 Å²	34.7	26%	0.262	18%	0.179	S	C	.	.			trans	-68.4	124.2	162.3	-174.6	24.9	0	0	0	109	S307 S314 T336 G337 F338 D339	S307-D312 PolarHBondContact OG-OD1 3.39Å; D312-S314 PolarHBondContact OD1-N 3.21Å; D312-S314 PolarHBondContact OD1-OG 3.35Å; D312-T336 CarbonylContact C-O 3.13Å; D312-T336 VanDerWaalsContact CB-O 3.22Å; D312-T336 WeakPolarHBondContact CB-O 3.44Å; D312-T336 CarbonylContact O-C 3.53Å; D312-G337 WeakPolarHBondContact OD2-CA 3.35Å; D312-F338 PolarHBondContact OD2-N 3.05Å; D312-F338 VanDerWaalsContact OD2-N 3.13Å; D312-D339 VanDerWaalsContact CG-N 3.31Å; D312-D339 PolarHBondContact OD1-N 2.89Å; D312-D339 VanDerWaalsContact OD2-CA 3.23Å; D312-D339 WeakPolarHBondContact OD2-CA 3.49Å; D312-D339 PolarHBondContact OD2-N 2.03Å
313	N	89.9	Confident	93.1	Very high	17 Å²	17	37.4 Å²	37.4	9%	0.091	20%	0.198	C	C	.	.			trans	-155.6	26.1	176.4	62.4	9.8	0	0	0	109.8	R287 S307 T308 E311	R287-N313 PolarHBondContact NH1-O 3.15Å; R287-N313 PolarHBondContact NH1-OD1 3.31Å; S307-N313 WeakPolarHBondContact CA-OD1 3.49Å; T308-N313 VanDerWaalsContact CG2-ND2 3.31Å; T308-N313 WeakPolarHBondContact CG2-ND2 3.47Å; T308-N313 PolarHBondContact N-OD1 2.88Å; E311-N313 HydrophobicContact CG-CB 4.49Å; E311-N313 PolarHBondContact O-N 3.37Å; E311-N313 PolarHBondContact OE1-ND2 3.16Å
314	S	94.8	Very high	92.9	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.217	C	C	.	.			trans	-57.1	148.9	173.1	50.1	0	0	0	0	110	V305 S307 D312 G337 F338 D339	V305-S314 CarbonylContact O-C 3.39Å; V305-S314 WeakPolarHBondContact O-CA 3.4Å; V305-S314 WeakPolarHBondContact O-CB 3.06Å; S307-S314 WeakPolarHBondContact OG-CB 2.93Å; S307-S314 PolarHBondContact OG-N 3.47Å; S307-S314 PolarHBondContact OG-OG 3.3Å; D312-S314 PolarHBondContact OD1-N 3.21Å; D312-S314 PolarHBondContact OD1-OG 3.35Å; S314-G337 WeakPolarHBondContact O-CA 3.45Å; S314-F338 WeakPolarHBondContact O-CD2 3.4Å; S314-F338 WeakPolarHBondContact OG-CA 3.42Å; S314-F338 PolarHBondContact OG-N 2.84Å; S314-D339 PolarHBondContact OG-N 2.95Å; S314-D339 PolarHBondContact OG-O 3.12Å
315	K	96.1	Very high	92.7	Very high	6 Å²	6	47.8 Å²	47.8	3%	0.026	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	167.3	-172.3	66.7	-175.3	-171	166.6	0	110.7	V305 E317 E329 R331	V305-K315 HydrophobicContact CB-CG 4.15Å; V305-K315 PolarHBondContact N-O 3.47Å; V305-K315 PolarHBondContact O-N 3.19Å; K315-E317 HydrophobicContact CD-CG 4.37Å; K315-E317 WeakPolarHBondContact CE-OE1 3.5Å; K315-E317 HydrophobicContact CG-CG 4.41Å; K315-E317 IonicContact NZ-OE1 3.96Å; K315-E317 PolarHBondContact NZ-OE1 2.94Å; K315-E329 IonicContact NZ-OE2 2.88Å; K315-E329 PolarHBondContact NZ-OE2 3.36Å; K315-R331 HydrophobicContact CB-CG 4.18Å; K315-R331 VanDerWaalsContact CD-CZ 3.44Å
316	V	97.8	Very high	92.5	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	124.4	164.8	-174.5	0	0	0	0	108.2	F302 A303 L304 E329 I330 I344 F358	F302-V316 HydrophobicContact CB-CG1 3.89Å; F302-V316 HydrophobicContact CD1-CG1 4.1Å; A303-V316 CarbonylContact O-C 3.56Å; A303-V316 VanDerWaalsContact O-CA 3.29Å; A303-V316 WeakPolarHBondContact O-CA 3.42Å; L304-V316 HydrophobicContact CD1-CG2 3.93Å; V316-E329 CarbonylContact O-C 3.49Å; V316-E329 WeakPolarHBondContact O-CA 3.32Å; V316-E329 WeakPolarHBondContact O-CB 3.41Å; V316-I330 HydrophobicContact CB-CB 3.93Å; V316-I330 HydrophobicContact CB-CD1 4.19Å; V316-I330 HydrophobicContact CB-CG1 4.15Å; V316-I330 HydrophobicContact CG1-CD1 4.36Å; V316-I330 HydrophobicContact CG2-CB 4.35Å; V316-I330 PolarHBondContact N-O 3.06Å; V316-I330 PolarHBondContact O-N 2.71Å; V316-I344 HydrophobicContact CB-CD1 4.39Å; V316-I344 HydrophobicContact CG1-CD1 3.6Å; V316-I344 HydrophobicContact CG2-CD1 3.83Å; V316-F358 HydrophobicContact CG2-CD1 3.87Å; V316-F358 HydrophobicContact CG2-CE1 3.78Å; V316-F358 HydrophobicContact CG2-CG 4.42Å; V316-F358 HydrophobicContact CG2-CZ 4.26Å
317	E	97.2	Very high	92.5	Very high	1 Å²	1	53 Å²	53	1%	0.005	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	140	168.4	-72.5	176.5	167.6	0	0	109.2	Y281 Q283 F302 A303 V305 K315 I319 L326	Y281-E317 WeakPolarHBondContact CE1-OE2 3.43Å; Y281-E317 PolarHBondContact OH-OE2 3.27Å; Q283-E317 PolarHBondContact NE2-OE1 2.88Å; F302-E317 CarbonylContact C-O 3.59Å; F302-E317 WeakPolarHBondContact CA-O 3.21Å; A303-E317 HydrophobicContact CB-CB 4.23Å; A303-E317 PolarHBondContact N-O 2.99Å; A303-E317 PolarHBondContact O-N 3.07Å; V305-E317 HydrophobicContact CG2-CB 4.34Å; V305-E317 HydrophobicContact CG2-CG 3.93Å; K315-E317 HydrophobicContact CD-CG 4.37Å; K315-E317 WeakPolarHBondContact CE-OE1 3.5Å; K315-E317 HydrophobicContact CG-CG 4.41Å; K315-E317 IonicContact NZ-OE1 3.96Å; K315-E317 PolarHBondContact NZ-OE1 2.94Å; E317-I319 HydrophobicContact CB-CD1 3.98Å; E317-L326 HydrophobicContact CB-CD1 3.66Å; E317-L326 HydrophobicContact CG-CD1 3.94Å
318	I	96.4	Very high	92.5	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	115.7	179.7	-51.3	176	0	0	0	107.4	F45 I47 L300 I301 F302 I327 G328 I330 L404	F45-I318 HydrophobicContact CE2-CD1 3.67Å; F45-I318 HydrophobicContact CZ-CD1 3.93Å; F45-I318 HydrophobicContact CZ-CG2 4.08Å; I47-I318 HydrophobicContact CD1-CD1 3.93Å; L300-I318 HydrophobicContact CB-CG2 4.27Å; L300-I318 HydrophobicContact CD1-CG2 3.97Å; L300-I318 HydrophobicContact CG-CG2 4.48Å; I301-I318 WeakPolarHBondContact O-CA 3.27Å; F302-I318 HydrophobicContact CD1-CG1 3.95Å; F302-I318 HydrophobicContact CD1-CG2 4.47Å; F302-I318 HydrophobicContact CE1-CD1 4.11Å; F302-I318 HydrophobicContact CE1-CG1 3.91Å; F302-I318 HydrophobicContact CE1-CG2 4.04Å; I318-I327 HydrophobicContact CB-CG1 4.3Å; I318-I327 HydrophobicContact CG2-CD1 4.13Å; I318-I327 HydrophobicContact CG2-CG1 3.85Å; I318-I327 WeakPolarHBondContact O-CG1 3.11Å; I318-I327 PolarHBondContact O-N 3.23Å; I318-G328 PolarHBondContact N-O 2.92Å; I318-G328 PolarHBondContact O-N 3.29Å; I318-I330 HydrophobicContact CD1-CG1 4.2Å; I318-L404 HydrophobicContact CD1-CD2 4.29Å
319	I	96.1	Very high	92.8	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	134	-175.7	-54.3	95.3	0	0	0	108.7	Y281 I301 A303 E317 E325 L326	Y281-I319 HydrophobicContact CD1-CD1 4.16Å; Y281-I319 HydrophobicContact CD1-CG1 4.26Å; Y281-I319 HydrophobicContact CD2-CG1 3.94Å; Y281-I319 HydrophobicContact CD2-CG2 4.04Å; Y281-I319 HydrophobicContact CE1-CD1 3.94Å; Y281-I319 HydrophobicContact CE1-CG1 4.05Å; Y281-I319 HydrophobicContact CE2-CG1 3.71Å; Y281-I319 HydrophobicContact CE2-CG2 4.38Å; Y281-I319 HydrophobicContact CG-CG1 4.2Å; I301-I319 HydrophobicContact CB-CB 4.21Å; I301-I319 PolarHBondContact N-O 2.75Å; I301-I319 PolarHBondContact O-N 2.89Å; A303-I319 HydrophobicContact CB-CD1 3.74Å; E317-I319 HydrophobicContact CB-CD1 3.98Å; I319-E325 WeakPolarHBondContact CA-O 3.46Å; I319-E325 WeakPolarHBondContact CG2-O 3.44Å; I319-L326 HydrophobicContact CG1-CD1 4.32Å
320	D	94.2	Very high	93.5	Very high	35 Å²	35	44.1 Å²	44.1	19%	0.187	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	125.9	169.7	-179.9	78.5	0	0	0	109.6	L300 N322 S323 Q324 E325 I327	L300-D320 HydrophobicContact CD2-CB 4.47Å; D320-N322 VanDerWaalsContact C-N 3.28Å; D320-N322 PolarHBondContact O-N 3.16Å; D320-N322 WeakPolarHBondContact OD2-CA 3.35Å; D320-N322 WeakPolarHBondContact OD2-CB 3.45Å; D320-N322 PolarHBondContact OD2-N 3.16Å; D320-S323 WeakPolarHBondContact CB-OG 3.43Å; D320-S323 PolarHBondContact OD2-N 2.78Å; D320-S323 PolarHBondContact OD2-OG 3.25Å; D320-Q324 WeakPolarHBondContact O-CA 3.41Å; D320-Q324 PolarHBondContact O-N 2.94Å; D320-E325 PolarHBondContact N-O 2.67Å; D320-I327 HydrophobicContact CB-CD1 4.43Å; D320-I327 HydrophobicContact CB-CG2 4.15Å
321	F	95.9	Very high	93.9	Very high	16 Å²	16	40 Å²	40	7%	0.07	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-34.9	-176.9	178.9	-86.9	0	0	0	112.9	L243 E246 A248 F279 I294 R299 I301	L243-F321 HydrophobicContact CD2-CD1 3.96Å; L243-F321 HydrophobicContact CD2-CD2 3.72Å; L243-F321 HydrophobicContact CD2-CE1 3.96Å; L243-F321 HydrophobicContact CD2-CE2 3.73Å; L243-F321 HydrophobicContact CD2-CG 3.85Å; L243-F321 HydrophobicContact CD2-CZ 3.86Å; E246-F321 HydrophobicContact CB-CE1 3.87Å; E246-F321 HydrophobicContact CB-CZ 3.97Å; E246-F321 HydrophobicContact CG-CD1 4.39Å; E246-F321 HydrophobicContact CG-CE1 3.82Å; E246-F321 HydrophobicContact CG-CZ 4.36Å; A248-F321 HydrophobicContact CB-CE2 3.99Å; A248-F321 HydrophobicContact CB-CZ 3.67Å; F279-F321 HydrophobicContact CE1-CD2 4.18Å; F279-F321 HydrophobicContact CE1-CE1 4.33Å; F279-F321 AromaticContact CE1-CE2 3.7Å; F279-F321 HydrophobicContact CE1-CE2 3.7Å; F279-F321 AromaticContact CE1-CZ 3.79Å; F279-F321 HydrophobicContact CE1-CZ 3.79Å; F279-F321 AromaticContact CZ-CD2 3.82Å; F279-F321 HydrophobicContact CZ-CD2 3.82Å; F279-F321 AromaticContact CZ-CE2 3.73Å; F279-F321 HydrophobicContact CZ-CE2 3.73Å; F279-F321 HydrophobicContact CZ-CG 4.41Å; F279-F321 HydrophobicContact CZ-CZ 4.27Å; I294-F321 HydrophobicContact CD1-CD2 4.48Å; R299-F321 HydrophobicContact CB-CB 4.19Å; R299-F321 WeakPolarHBondContact O-CB 3.39Å; R299-F321 PolarHBondContact O-N 3.33Å; I301-F321 HydrophobicContact CD1-CB 4.29Å; I301-F321 HydrophobicContact CD1-CD2 3.83Å; I301-F321 HydrophobicContact CD1-CG 4.49Å; I301-F321 HydrophobicContact CG1-CB 4.15Å; I301-F321 HydrophobicContact CG1-CD2 4.09Å
322	N	94	Very high	93.9	Very high	85 Å²	85	34.7 Å²	34.7	46%	0.455	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-49.2	-172.2	-50.7	-68	0	0	0	111.6	D320 Q324	D320-N322 VanDerWaalsContact C-N 3.28Å; D320-N322 PolarHBondContact O-N 3.16Å; D320-N322 WeakPolarHBondContact OD2-CA 3.35Å; D320-N322 WeakPolarHBondContact OD2-CB 3.45Å; D320-N322 PolarHBondContact OD2-N 3.16Å; N322-Q324 VanDerWaalsContact C-N 3.35Å
323	S	94.6	Very high	93.5	Very high	56 Å²	56	38 Å²	38	39%	0.392	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-21.1	178.9	75.1	0	0	0	0	112.6	D320 E325	D320-S323 WeakPolarHBondContact CB-OG 3.43Å; D320-S323 PolarHBondContact OD2-N 2.78Å; D320-S323 PolarHBondContact OD2-OG 3.25Å; S323-E325 PolarHBondContact O-N 2.98Å; S323-E325 WeakPolarHBondContact OG-CB 3.44Å; S323-E325 PolarHBondContact OG-N 3.18Å
324	Q	94.7	Very high	93	Very high	89 Å²	89	42.2 Å²	42.2	42%	0.416	21%	0.205	S	C	.	.			trans	63.6	18.1	-175	-52.1	165.4	29.5	0	0	112.7	F279 D320 N322	F279-Q324 HydrophobicContact CD2-CG 3.88Å; F279-Q324 HydrophobicContact CE2-CG 4.1Å; F279-Q324 HydrophobicContact CG-CG 4.25Å; D320-Q324 WeakPolarHBondContact O-CA 3.41Å; D320-Q324 PolarHBondContact O-N 2.94Å; N322-Q324 VanDerWaalsContact C-N 3.35Å
325	E	94.3	Very high	92.3	Very high	129 Å²	129	49.4 Å²	49.4	60%	0.603	24%	0.237	S	C	*	.			trans	-89.3	143.1	-179.6	-63.5	-176.5	157.7	0	0	111.2	I319 D320 S323 I327	I319-E325 WeakPolarHBondContact CA-O 3.46Å; I319-E325 WeakPolarHBondContact CG2-O 3.44Å; D320-E325 PolarHBondContact N-O 2.67Å; S323-E325 PolarHBondContact O-N 2.98Å; S323-E325 WeakPolarHBondContact OG-CB 3.44Å; S323-E325 PolarHBondContact OG-N 3.18Å; E325-I327 HydrophobicContact CB-CG2 4.5Å; E325-I327 PolarHBondContact O-N 3.5Å
326	L	94.6	Very high	91.7	Very high	78 Å²	78	52.9 Å²	52.9	41%	0.408	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	114.1	169.1	177.6	68.5	0	0	0	108.6	E317 I319 G328	E317-L326 HydrophobicContact CB-CD1 3.66Å; E317-L326 HydrophobicContact CG-CD1 3.94Å; I319-L326 HydrophobicContact CG1-CD1 4.32Å; L326-G328 WeakPolarHBondContact CD1-O 3.45Å
327	I	93.5	Very high	91.3	Very high	33 Å²	33	53.2 Å²	53.2	17%	0.169	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	-3.1	-177.1	67.5	164.4	0	0	0	112.7	N43 F45 L300 I318 D320 E325	N43-I327 WeakPolarHBondContact ND2-CA 3.35Å; N43-I327 WeakPolarHBondContact ND2-CB 3.32Å; N43-I327 PolarHBondContact ND2-O 3.4Å; F45-I327 HydrophobicContact CE1-CD1 3.84Å; F45-I327 HydrophobicContact CZ-CD1 4.22Å; F45-I327 HydrophobicContact CZ-CG1 4.48Å; L300-I327 HydrophobicContact CD1-CD1 4.33Å; L300-I327 HydrophobicContact CD2-CD1 3.41Å; L300-I327 VanDerWaalsContact CD2-CD1 3.41Å; L300-I327 HydrophobicContact CD2-CG1 4.5Å; I318-I327 HydrophobicContact CB-CG1 4.3Å; I318-I327 HydrophobicContact CG2-CD1 4.13Å; I318-I327 HydrophobicContact CG2-CG1 3.85Å; I318-I327 WeakPolarHBondContact O-CG1 3.11Å; I318-I327 PolarHBondContact O-N 3.23Å; D320-I327 HydrophobicContact CB-CD1 4.43Å; D320-I327 HydrophobicContact CB-CG2 4.15Å; E325-I327 HydrophobicContact CB-CG2 4.5Å; E325-I327 PolarHBondContact O-N 3.5Å
328	G	93	Very high	91	Very high	8 Å²	8	53.3 Å²	53.3	8%	0.082	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.8	175.8	177.2	0	0	0	0	0	113.3	I318 L326	I318-G328 PolarHBondContact N-O 2.92Å; I318-G328 PolarHBondContact O-N 3.29Å; L326-G328 WeakPolarHBondContact CD1-O 3.45Å
329	E	94.2	Very high	90.6	Very high	55 Å²	55	55.2 Å²	55.2	26%	0.257	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	140.3	174.5	52.6	177.7	-152	0	0	111.6	Q42 K315 V316 R331	Q42-E329 PolarHBondContact OE1-O 3.35Å; K315-E329 IonicContact NZ-OE2 2.88Å; K315-E329 PolarHBondContact NZ-OE2 3.36Å; V316-E329 CarbonylContact O-C 3.49Å; V316-E329 WeakPolarHBondContact O-CA 3.32Å; V316-E329 WeakPolarHBondContact O-CB 3.41Å; E329-R331 IonicContact OE1-CZ 3.48Å; E329-R331 IonicContact OE1-NE 2.71Å; E329-R331 PolarHBondContact OE1-NE 3.24Å; E329-R331 IonicContact OE1-NH2 2.74Å; E329-R331 PolarHBondContact OE1-NH2 3.16Å; E329-R331 IonicContact OE2-CZ 3.49Å; E329-R331 IonicContact OE2-NE 3.34Å; E329-R331 PolarHBondContact OE2-NE 2.91Å; E329-R331 IonicContact OE2-NH2 3.34Å; E329-R331 PolarHBondContact OE2-NH2 3.29Å
330	I	95.1	Very high	90.3	Very high	2 Å²	2	56.2 Å²	56.2	1%	0.01	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	123.2	167.2	-49.7	177.2	0	0	0	107.6	I47 V316 I318 F338 V356 Y402 L404	I47-I330 HydrophobicContact CD1-CG1 4.1Å; I47-I330 HydrophobicContact CG2-CD1 4.5Å; I47-I330 HydrophobicContact CG2-CG1 4.23Å; I47-I330 HydrophobicContact CG2-CG2 4.46Å; V316-I330 HydrophobicContact CB-CB 3.93Å; V316-I330 HydrophobicContact CB-CD1 4.19Å; V316-I330 HydrophobicContact CB-CG1 4.15Å; V316-I330 HydrophobicContact CG1-CD1 4.36Å; V316-I330 HydrophobicContact CG2-CB 4.35Å; V316-I330 PolarHBondContact N-O 3.06Å; V316-I330 PolarHBondContact O-N 2.71Å; I318-I330 HydrophobicContact CD1-CG1 4.2Å; I330-F338 HydrophobicContact CG2-CZ 4.38Å; I330-V356 HydrophobicContact CD1-CB 4.31Å; I330-V356 HydrophobicContact CD1-CG1 4.34Å; I330-Y402 HydrophobicContact CD1-CG 4.4Å; I330-Y402 HydrophobicContact CG2-CD1 3.67Å; I330-Y402 HydrophobicContact CG2-CD2 3.83Å; I330-Y402 HydrophobicContact CG2-CE1 3.47Å; I330-Y402 VanDerWaalsContact CG2-CE1 3.47Å; I330-Y402 HydrophobicContact CG2-CE2 3.67Å; I330-Y402 HydrophobicContact CG2-CG 3.81Å; I330-Y402 VanDerWaalsContact CG2-CZ 3.47Å; I330-L404 HydrophobicContact CD1-CD1 4.39Å
331	R	92.1	Very high	90.4	Very high	61 Å²	61	54.5 Å²	54.5	23%	0.23	27%	0.268	C	S	.	.			trans	-128.7	155	170.9	-64.7	-174.8	-178.3	-94.6	3.2	108.9	K315 E329	K315-R331 HydrophobicContact CB-CG 4.18Å; K315-R331 VanDerWaalsContact CD-CZ 3.44Å; E329-R331 IonicContact OE1-CZ 3.48Å; E329-R331 IonicContact OE1-NE 2.71Å; E329-R331 PolarHBondContact OE1-NE 3.24Å; E329-R331 IonicContact OE1-NH2 2.74Å; E329-R331 PolarHBondContact OE1-NH2 3.16Å; E329-R331 IonicContact OE2-CZ 3.49Å; E329-R331 IonicContact OE2-NE 3.34Å; E329-R331 PolarHBondContact OE2-NE 2.91Å; E329-R331 IonicContact OE2-NH2 3.34Å; E329-R331 PolarHBondContact OE2-NH2 3.29Å
332	N	85.4	Confident	90.4	Very high	8 Å²	8	54 Å²	54	4%	0.043	27%	0.266	C	S	.	.			trans	-67.3	160.7	165.2	69.8	-4.1	0	0	0	110.2	W334 K335 T336 G337 F338	N332-W334 HydrophobicContact CB-CE3 4.43Å; N332-W334 PolarHBondContact O-N 2.82Å; N332-K335 PolarHBondContact O-N 2.77Å; N332-K335 VanDerWaalsContact OD1-C 3.32Å; N332-K335 WeakPolarHBondContact OD1-CA 3.49Å; N332-K335 PolarHBondContact OD1-N 2.86Å; N332-T336 PolarHBondContact ND2-OG1 3.06Å; N332-T336 PolarHBondContact OD1-N 3.34Å; N332-G337 PolarHBondContact ND2-N 3.25Å; N332-G337 PolarHBondContact ND2-O 3.08Å; N332-G337 PolarHBondContact OD1-N 2.76Å; N332-F338 HydrophobicContact CB-CD1 4.37Å; N332-F338 HydrophobicContact CB-CE1 3.74Å; N332-F338 HydrophobicContact CB-CZ 4.23Å; N332-F338 VanDerWaalsContact N-CZ 3.31Å
333	E	79.7	Confident	90.6	Very high	118 Å²	118	50.2 Å²	50.2	55%	0.551	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-34.7	-174.3	-59.3	-173.7	156.6	0	0	112.5	K335	E333-K335 VanDerWaalsContact C-N 3.31Å; E333-K335 PolarHBondContact O-N 2.79Å
334	W	79.8	Confident	90.8	Very high	105 Å²	105	47.6 Å²	47.6	40%	0.398	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-3.9	179.5	-51.1	-77.7	0	0	0	114	N332 T336 F389 Q394	N332-W334 HydrophobicContact CB-CE3 4.43Å; N332-W334 PolarHBondContact O-N 2.82Å; W334-T336 HydrophobicContact CB-CG2 3.92Å; W334-T336 PolarHBondContact O-N 2.98Å; W334-T336 VanDerWaalsContact O-N 3.09Å; W334-F389 HydrophobicContact CH2-CD1 4.39Å; W334-F389 HydrophobicContact CZ2-CB 4.31Å; W334-F389 HydrophobicContact CZ2-CD1 4.37Å; W334-F389 HydrophobicContact CZ2-CG 4.2Å; W334-Q394 HydrophobicContact CZ3-CG 4.11Å; W334-Q394 VanDerWaalsContact CZ3-NE2 3.32Å
335	K	80.6	Confident	90.9	Very high	152 Å²	152	43.4 Å²	43.4	66%	0.661	21%	0.209	S	C	*	.	S	Bend	trans	53	24.6	-174.6	-56.4	-178.9	-178.7	179.3	0	114.2	N332 E333	N332-K335 PolarHBondContact O-N 2.77Å; N332-K335 VanDerWaalsContact OD1-C 3.32Å; N332-K335 WeakPolarHBondContact OD1-CA 3.49Å; N332-K335 PolarHBondContact OD1-N 2.86Å; E333-K335 VanDerWaalsContact C-N 3.31Å; E333-K335 PolarHBondContact O-N 2.79Å
336	T	81.5	Confident	91.1	Very high	79 Å²	79	38.6 Å²	38.6	49%	0.485	19%	0.188	S	C	.	.			trans	-85.6	-6.6	178.9	53	0	0	0	0	113.5	D312 N332 W334	D312-T336 CarbonylContact C-O 3.13Å; D312-T336 VanDerWaalsContact CB-O 3.22Å; D312-T336 WeakPolarHBondContact CB-O 3.44Å; D312-T336 CarbonylContact O-C 3.53Å; N332-T336 PolarHBondContact ND2-OG1 3.06Å; N332-T336 PolarHBondContact OD1-N 3.34Å; W334-T336 HydrophobicContact CB-CG2 3.92Å; W334-T336 PolarHBondContact O-N 2.98Å; W334-T336 VanDerWaalsContact O-N 3.09Å
337	G	89.5	Confident	91.1	Very high	6 Å²	6	35 Å²	35	6%	0.062	17%	0.169	C	C	.	.			trans	90.4	-170.2	-179.8	0	0	0	0	0	114.7	D312 S314 N332	D312-G337 WeakPolarHBondContact OD2-CA 3.35Å; S314-G337 WeakPolarHBondContact O-CA 3.45Å; N332-G337 PolarHBondContact ND2-N 3.25Å; N332-G337 PolarHBondContact ND2-O 3.08Å; N332-G337 PolarHBondContact OD1-N 2.76Å
338	F	92.1	Very high	90.7	Very high	4 Å²	4	36.5 Å²	36.5	2%	0.018	18%	0.181	C	C	.	.			trans	-128	21.4	-172.3	-54.4	-68.1	0	0	0	112.3	D312 S314 I330 N332 V341 F358 N360 W400 Y402	D312-F338 PolarHBondContact OD2-N 3.05Å; D312-F338 VanDerWaalsContact OD2-N 3.13Å; S314-F338 WeakPolarHBondContact O-CD2 3.4Å; S314-F338 WeakPolarHBondContact OG-CA 3.42Å; S314-F338 PolarHBondContact OG-N 2.84Å; I330-F338 HydrophobicContact CG2-CZ 4.38Å; N332-F338 HydrophobicContact CB-CD1 4.37Å; N332-F338 HydrophobicContact CB-CE1 3.74Å; N332-F338 HydrophobicContact CB-CZ 4.23Å; N332-F338 VanDerWaalsContact N-CZ 3.31Å; F338-V341 HydrophobicContact CB-CG1 3.51Å; F338-F358 HydrophobicContact CB-CE2 4.02Å; F338-F358 AromaticContact CD1-CE2 3.72Å; F338-F358 HydrophobicContact CD1-CE2 3.72Å; F338-F358 AromaticContact CD1-CZ 3.97Å; F338-F358 HydrophobicContact CD1-CZ 3.97Å; F338-F358 AromaticContact CD2-CE2 3.73Å; F338-F358 HydrophobicContact CD2-CE2 3.73Å; F338-F358 AromaticContact CD2-CZ 3.98Å; F338-F358 HydrophobicContact CD2-CZ 3.98Å; F338-F358 AromaticContact CE1-CE2 3.98Å; F338-F358 HydrophobicContact CE1-CE2 3.98Å; F338-F358 AromaticContact CE1-CZ 3.73Å; F338-F358 HydrophobicContact CE1-CZ 3.73Å; F338-F358 HydrophobicContact CE2-CE2 4.01Å; F338-F358 AromaticContact CE2-CZ 3.75Å; F338-F358 HydrophobicContact CE2-CZ 3.75Å; F338-F358 AromaticContact CG-CE2 3.57Å; F338-F358 HydrophobicContact CG-CE2 3.57Å; F338-F358 HydrophobicContact CG-CZ 4.08Å; F338-F358 HydrophobicContact CZ-CE2 4.12Å; F338-F358 AromaticContact CZ-CZ 3.61Å; F338-F358 HydrophobicContact CZ-CZ 3.61Å; F338-N360 WeakPolarHBondContact O-CB 3.45Å; F338-W400 HydrophobicContact CB-CH2 3.97Å; F338-W400 HydrophobicContact CB-CZ2 3.98Å; F338-W400 HydrophobicContact CB-CZ3 4.36Å; F338-W400 AromaticContact CD1-CD1 3.93Å; F338-W400 HydrophobicContact CD1-CD2 4.04Å; F338-W400 AromaticContact CD1-CE2 3.57Å; F338-W400 HydrophobicContact CD1-CG 4.27Å; F338-W400 AromaticContact CD1-CZ2 3.94Å; F338-W400 HydrophobicContact CD1-CZ2 3.94Å; F338-W400 AromaticContact CD1-NE1 3.49Å; F338-W400 AromaticContact CE1-CD1 3.87Å; F338-W400 HydrophobicContact CE1-CG 4.38Å; F338-W400 AromaticContact CE1-NE1 3.82Å; F338-W400 HydrophobicContact CG-CZ2 4.46Å; F338-W400 WeakPolarHBondContact O-CH2 3.47Å; F338-Y402 HydrophobicContact CE1-CE2 4.39Å; F338-Y402 HydrophobicContact CZ-CE2 4.35Å
339	D	88.6	Confident	90.3	Very high	39 Å²	39	40.1 Å²	40.1	21%	0.209	19%	0.193	C	C	.	.	S	Bend	trans	56.5	-136	-178.5	-158.7	12.9	0	0	0	113.9	S307 D312 S314 V341 S365	S307-D339 PolarHBondContact OG-O 3.41Å; D312-D339 VanDerWaalsContact CG-N 3.31Å; D312-D339 PolarHBondContact OD1-N 2.89Å; D312-D339 VanDerWaalsContact OD2-CA 3.23Å; D312-D339 WeakPolarHBondContact OD2-CA 3.49Å; D312-D339 PolarHBondContact OD2-N 2.03Å; S314-D339 PolarHBondContact OG-N 2.95Å; S314-D339 PolarHBondContact OG-O 3.12Å; D339-V341 PolarHBondContact O-N 2.69Å; D339-S365 VanDerWaalsContact OD1-CB 3.23Å; D339-S365 WeakPolarHBondContact OD1-CB 3.38Å; D339-S365 PolarHBondContact OD1-OG 3.26Å
340	D	89.6	Confident	89.7	Confident	22 Å²	22	40.5 Å²	40.5	12%	0.118	20%	0.197	C	C	.	.	S	Bend	trans	-77	65.5	-179.2	-167.7	38.8	0	0	0	111.6	N360 T361	D340-N360 CarbonylContact O-C 3.59Å; D340-N360 WeakPolarHBondContact O-CA 3.29Å; D340-N360 WeakPolarHBondContact O-CB 3.46Å; D340-T361 PolarHBondContact O-N 2.78Å; D340-T361 WeakPolarHBondContact OD2-CG2 3.42Å; D340-T361 PolarHBondContact OD2-OG1 2.91Å
341	V	95.4	Very high	89.1	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.5	146	174.6	-67.1	0	0	0	0	111.5	Y290 L304 F338 D339 C359	Y290-V341 WeakPolarHBondContact CD1-O 3.36Å; Y290-V341 HydrophobicContact CD2-CG2 4.16Å; Y290-V341 VanDerWaalsContact CE1-O 3.31Å; Y290-V341 WeakPolarHBondContact CE1-O 3.43Å; Y290-V341 HydrophobicContact CG-CG2 4.32Å; L304-V341 HydrophobicContact CD1-CB 3.88Å; L304-V341 HydrophobicContact CD1-CG1 3.97Å; L304-V341 HydrophobicContact CD1-CG2 4.28Å; L304-V341 HydrophobicContact CD2-CB 3.91Å; L304-V341 HydrophobicContact CD2-CG2 4.44Å; L304-V341 HydrophobicContact CG-CB 3.86Å; L304-V341 HydrophobicContact CG-CG1 4.5Å; L304-V341 HydrophobicContact CG-CG2 4.02Å; F338-V341 HydrophobicContact CB-CG1 3.51Å; D339-V341 PolarHBondContact O-N 2.69Å; V341-C359 WeakPolarHBondContact CA-O 3.2Å
342	H	96	Very high	88.6	Confident	6 Å²	6	47 Å²	47	3%	0.028	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	-43.7	-169.9	-165.6	55.3	0	0	0	115.9	S66 R83 H133 H238 C359 T361	S66-H342 VanDerWaalsContact CA-CD2 3.49Å; S66-H342 WeakPolarHBondContact CA-CD2 3.35Å; S66-H342 PolarHBondContact O-CD2 3.08Å; S66-H342 PolarHBondContact O-NE2 2.58Å; R83-H342 PolarHBondContact NH2-NE2 2.55Å; H133-H342 AromaticContact NE2-CE1 3.62Å; H133-H342 AromaticContact NE2-NE2 3.7Å; H238-H342 AromaticContact CE1-CE1 3.43Å; H238-H342 PolarHBondContact CE1-CE1 2.6Å; H238-H342 VanDerWaalsContact CE1-CE1 3.43Å; H238-H342 AromaticContact CE1-ND1 3.57Å; H238-H342 PolarHBondContact CE1-O 3.19Å; H238-H342 AromaticContact NE2-CE1 3.31Å; H238-H342 PolarHBondContact NE2-CE1 2.75Å; H238-H342 VanDerWaalsContact NE2-CE1 3.31Å; H238-H342 AromaticContact NE2-ND1 3.79Å; H342-C359 PolarHBondContact N-O 3.22Å; H342-T361 HydrophobicContact CB-CG2 3.66Å
343	S	98.1	Very high	88.7	Confident	5 Å²	5	48.3 Å²	48.3	4%	0.035	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	147.3	-178	180	0	0	0	0	111.2	S67 F358 C359	S67-S343 PolarHBondContact OG-OG 3.42Å; S67-S343 VanDerWaalsContact OG-OG 3.13Å; S343-F358 CarbonylContact O-C 3.58Å; S343-F358 WeakPolarHBondContact O-CA 3.48Å; S343-F358 VanDerWaalsContact O-CB 3.22Å; S343-F358 WeakPolarHBondContact O-CB 3.18Å; S343-C359 PolarHBondContact O-N 2.78Å
344	I	98.6	Very high	89.2	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	149.5	179.3	-170.6	162.2	0	0	0	111.3	Q239 A293 F302 L304 V316 V356 L357 F358	Q239-I344 PolarHBondContact NE2-O 3.35Å; A293-I344 HydrophobicContact CB-CG1 4.36Å; A293-I344 HydrophobicContact CB-CG2 3.98Å; F302-I344 HydrophobicContact CB-CD1 3.79Å; L304-I344 HydrophobicContact CB-CB 4.06Å; L304-I344 HydrophobicContact CB-CD1 4.19Å; L304-I344 HydrophobicContact CB-CG2 3.99Å; L304-I344 HydrophobicContact CD2-CB 4.13Å; V316-I344 HydrophobicContact CB-CD1 4.39Å; V316-I344 HydrophobicContact CG1-CD1 3.6Å; V316-I344 HydrophobicContact CG2-CD1 3.83Å; I344-V356 HydrophobicContact CD1-CG1 3.72Å; I344-V356 HydrophobicContact CG1-CG1 3.85Å; I344-L357 CarbonylContact C-O 3.46Å; I344-L357 WeakPolarHBondContact CA-O 3.45Å; I344-L357 WeakPolarHBondContact CG1-O 3.4Å; I344-F358 HydrophobicContact CB-CB 4.05Å; I344-F358 HydrophobicContact CD1-CB 4.47Å; I344-F358 HydrophobicContact CG1-CB 4.05Å
345	A	98.2	Very high	89.9	Confident	2 Å²	2	37.7 Å²	37.7	2%	0.017	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	154	176.3	0	0	0	0	0	110.6	I68 K69 V356 L357	I68-A345 WeakPolarHBondContact O-CB 3.48Å; K69-A345 HydrophobicContact CD-CB 3.87Å; A345-V356 CarbonylContact O-C 3.47Å; A345-V356 WeakPolarHBondContact O-CA 3.1Å; A345-L357 PolarHBondContact N-O 2.76Å; A345-L357 PolarHBondContact O-N 2.87Å
346	T	96.8	Very high	90.7	Very high	28 Å²	28	30.5 Å²	30.5	17%	0.172	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	157	170.7	48.8	0	0	0	0	109.7	A293 I294 E295 F302 C355 V356	A293-T346 HydrophobicContact CB-CG2 3.89Å; I294-T346 PolarHBondContact O-OG1 2.98Å; I294-T346 VanDerWaalsContact O-OG1 3.12Å; E295-T346 HydrophobicContact CB-CG2 3.98Å; F302-T346 HydrophobicContact CD2-CG2 3.42Å; F302-T346 VanDerWaalsContact CD2-CG2 3.42Å; F302-T346 HydrophobicContact CE2-CG2 3.64Å; F302-T346 HydrophobicContact CG-CG2 4.36Å; T346-C355 CarbonylContact C-O 3.56Å; T346-C355 WeakPolarHBondContact CA-O 3.33Å; T346-V356 HydrophobicContact CG2-CG2 4.44Å
347	C	94.4	Very high	91.5	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.014	14%	0.139	C	C	.	.	P	Polyproline II helix	trans	-91.7	154.8	168.2	-52.9	0	0	0	0	109.8	Y349 T354 C355 L357	C347-Y349 PolarHBondContact O-N 3.18Å; C347-T354 PolarHBondContact O-OG1 2.79Å; C347-C355 HydrophobicContact CB-CB 4.01Å; C347-C355 WeakPolarHBondContact CB-SG 3.46Å; C347-C355 PolarHBondContact N-O 3.19Å; C347-C355 WeakPolarHBondContact SG-CB 3.27Å; C347-C355 CovalentContact SG-SG 2.01Å; C347-C355 PolarHBondContact SG-SG 3Å; C347-L357 VanDerWaalsContact SG-CD1 3.53Å
348	P	85.5	Confident	91.9	Very high	65 Å²	65	26.4 Å²	26.4	42%	0.422	14%	0.136	S	C	.	.	P	Polyproline II helix	trans	-56.6	132.5	167.2	-22.9	33.4	0	0	0	110.8	Q73	Q73-P348 WeakPolarHBondContact CA-O 3.33Å; Q73-P348 WeakPolarHBondContact CB-O 3.33Å
349	Y	84.3	Confident	92.1	Very high	83 Å²	83	26.2 Å²	26.2	33%	0.325	14%	0.135	S	C	.	.	P	Polyproline II helix	trans	-66.6	141.3	175.8	173.5	-90.9	0	0	0	111.9	E295 S297 T298 C347 G352 T353 F406	E295-Y349 WeakPolarHBondContact OE1-CB 3.46Å; S297-Y349 WeakPolarHBondContact OG-CB 3.49Å; T298-Y349 HydrophobicContact CG2-CD2 4Å; T298-Y349 HydrophobicContact CG2-CE2 4.24Å; C347-Y349 PolarHBondContact O-N 3.18Å; Y349-G352 VanDerWaalsContact CZ-CA 3.5Å; Y349-G352 WeakPolarHBondContact OH-CA 3.31Å; Y349-G352 PolarHBondContact OH-N 3.25Å; Y349-T353 CarbonylContact C-O 3.43Å; Y349-T353 WeakPolarHBondContact CA-O 3.45Å; Y349-F406 HydrophobicContact CD2-CD2 4.39Å; Y349-F406 AromaticContact CE2-CD2 3.9Å; Y349-F406 HydrophobicContact CE2-CD2 3.9Å; Y349-F406 HydrophobicContact CE2-CE2 4.43Å
350	N	82.4	Confident	92.3	Very high	64 Å²	64	24.8 Å²	24.8	34%	0.342	13%	0.127	S	C	.	.	B	Isolated β-bridge	trans	-148.6	121.8	175.7	178.3	40.3	0	0	0	110.9	Q73 G352 T353	Q73-N350 HydrophobicContact CB-CB 3.64Å; Q73-N350 HydrophobicContact CG-CB 3.61Å; N350-G352 PolarHBondContact O-N 2.92Å; N350-T353 PolarHBondContact N-O 3.39Å; N350-T353 PolarHBondContact O-N 3.04Å
351	K	81.7	Confident	92.3	Very high	188 Å²	188	23.9 Å²	23.9	82%	0.817	12%	0.123	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.4	55.5	171.2	-65	177.5	-179.3	-174.8	0	114	T353	K351-T353 PolarHBondContact O-N 3.5Å
352	G	82.7	Confident	91.4	Very high	11 Å²	11	27 Å²	27	11%	0.113	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.7	4.8	179.3	0	0	0	0	0	113.7	Y349 N350 R405 F406	Y349-G352 VanDerWaalsContact CZ-CA 3.5Å; Y349-G352 WeakPolarHBondContact OH-CA 3.31Å; Y349-G352 PolarHBondContact OH-N 3.25Å; N350-G352 PolarHBondContact O-N 2.92Å; G352-R405 CarbonylContact O-C 3.58Å; G352-R405 WeakPolarHBondContact O-CA 3.46Å; G352-F406 WeakPolarHBondContact O-CD2 3.14Å; G352-F406 PolarHBondContact O-N 3.26Å
353	T	86.3	Confident	90.1	Very high	36 Å²	36	28 Å²	28	22%	0.221	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	140.2	-179.7	-54.2	0	0	0	0	111.1	Y349 N350 K351 L404 R405	Y349-T353 CarbonylContact C-O 3.43Å; Y349-T353 WeakPolarHBondContact CA-O 3.45Å; N350-T353 PolarHBondContact N-O 3.39Å; N350-T353 PolarHBondContact O-N 3.04Å; K351-T353 PolarHBondContact O-N 3.5Å; T353-L404 CarbonylContact C-O 3.45Å; T353-L404 VanDerWaalsContact CA-O 3.29Å; T353-L404 WeakPolarHBondContact CA-O 3.29Å; T353-R405 HydrophobicContact CG2-CG 4.17Å
354	T	92.1	Very high	88	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	176.4	161.3	-168.4	0	0	0	0	109.3	E295 C347 H403 L404 F406	E295-T354 HydrophobicContact CG-CG2 4.4Å; C347-T354 PolarHBondContact O-OG1 2.79Å; T354-H403 WeakPolarHBondContact O-CA 3.31Å; T354-L404 HydrophobicContact CG2-CB 3.94Å; T354-L404 PolarHBondContact N-O 3.29Å; T354-L404 PolarHBondContact O-N 3.19Å; T354-F406 HydrophobicContact CG2-CE2 3.79Å; T354-F406 HydrophobicContact CG2-CZ 4.34Å
355	C	94.2	Very high	85.7	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	159.1	167.3	41.7	0	0	0	0	112.3	Q73 T346 C347 L401 Y402	Q73-C355 PolarHBondContact O-SG 3.21Å; T346-C355 CarbonylContact C-O 3.56Å; T346-C355 WeakPolarHBondContact CA-O 3.33Å; C347-C355 HydrophobicContact CB-CB 4.01Å; C347-C355 WeakPolarHBondContact CB-SG 3.46Å; C347-C355 PolarHBondContact N-O 3.19Å; C347-C355 WeakPolarHBondContact SG-CB 3.27Å; C347-C355 CovalentContact SG-SG 2.01Å; C347-C355 PolarHBondContact SG-SG 3Å; C355-L401 HydrophobicContact CB-CD1 3.63Å; C355-Y402 CarbonylContact C-O 3.44Å; C355-Y402 WeakPolarHBondContact CA-O 3.08Å; C355-Y402 WeakPolarHBondContact CB-O 3.45Å
356	V	96.8	Very high	82.8	Confident	0 Å²	0	41 Å²	41	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	127.3	174.4	178.6	0	0	0	0	107.1	F302 I330 I344 A345 T346 F358 Y402 L404	F302-V356 HydrophobicContact CD1-CG1 4.44Å; F302-V356 HydrophobicContact CD1-CG2 3.64Å; F302-V356 HydrophobicContact CD2-CG2 4.21Å; F302-V356 HydrophobicContact CE1-CG2 3.5Å; F302-V356 VanDerWaalsContact CE1-CG2 3.5Å; F302-V356 HydrophobicContact CE2-CG2 4.08Å; F302-V356 HydrophobicContact CG-CG2 4Å; F302-V356 HydrophobicContact CZ-CG2 3.73Å; I330-V356 HydrophobicContact CD1-CB 4.31Å; I330-V356 HydrophobicContact CD1-CG1 4.34Å; I344-V356 HydrophobicContact CD1-CG1 3.72Å; I344-V356 HydrophobicContact CG1-CG1 3.85Å; A345-V356 CarbonylContact O-C 3.47Å; A345-V356 WeakPolarHBondContact O-CA 3.1Å; T346-V356 HydrophobicContact CG2-CG2 4.44Å; V356-F358 HydrophobicContact CG1-CD1 4.3Å; V356-Y402 PolarHBondContact N-O 2.74Å; V356-Y402 PolarHBondContact O-N 2.8Å; V356-L404 HydrophobicContact CB-CD1 4.41Å; V356-L404 HydrophobicContact CG2-CD1 3.82Å
357	L	97.3	Very high	79.9	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	142.5	172.6	-54.9	108.8	0	0	0	109.9	W53 I68 A70 A75 V78 I344 A345 C347 W400 L401	W53-L357 HydrophobicContact CH2-CD2 3.64Å; W53-L357 HydrophobicContact CZ2-CD2 4.09Å; W53-L357 HydrophobicContact CZ3-CD2 4.07Å; I68-L357 HydrophobicContact CD1-CB 3.87Å; I68-L357 HydrophobicContact CD1-CD2 3.99Å; I68-L357 HydrophobicContact CG1-CB 4.22Å; A70-L357 HydrophobicContact CB-CD1 3.52Å; A75-L357 HydrophobicContact CB-CD1 4.13Å; A75-L357 HydrophobicContact CB-CD2 3.94Å; A75-L357 HydrophobicContact CB-CG 4.45Å; V78-L357 HydrophobicContact CG1-CD2 4.34Å; V78-L357 HydrophobicContact CG2-CD2 3.89Å; I344-L357 CarbonylContact C-O 3.46Å; I344-L357 WeakPolarHBondContact CA-O 3.45Å; I344-L357 WeakPolarHBondContact CG1-O 3.4Å; A345-L357 PolarHBondContact N-O 2.76Å; A345-L357 PolarHBondContact O-N 2.87Å; C347-L357 VanDerWaalsContact SG-CD1 3.53Å; L357-W400 VanDerWaalsContact CA-O 3.25Å; L357-W400 WeakPolarHBondContact CA-O 3.36Å; L357-L401 HydrophobicContact CD1-CD1 4.44Å; L357-L401 HydrophobicContact CD2-CB 4.16Å; L357-L401 HydrophobicContact CD2-CD1 3.83Å; L357-L401 HydrophobicContact CD2-CG 4.42Å; L357-L401 HydrophobicContact CG-CD1 3.78Å
358	F	97.8	Very high	77	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	166.8	171.2	55.1	-87.8	0	0	0	110.7	L304 V316 F338 S343 I344 V356 W400 Y402	L304-F358 HydrophobicContact CD1-CB 4.17Å; L304-F358 HydrophobicContact CD1-CD2 4.08Å; L304-F358 HydrophobicContact CD1-CG 4.15Å; L304-F358 HydrophobicContact CD2-CB 4.3Å; V316-F358 HydrophobicContact CG2-CD1 3.87Å; V316-F358 HydrophobicContact CG2-CE1 3.78Å; V316-F358 HydrophobicContact CG2-CG 4.42Å; V316-F358 HydrophobicContact CG2-CZ 4.26Å; F338-F358 HydrophobicContact CB-CE2 4.02Å; F338-F358 AromaticContact CD1-CE2 3.72Å; F338-F358 HydrophobicContact CD1-CE2 3.72Å; F338-F358 AromaticContact CD1-CZ 3.97Å; F338-F358 HydrophobicContact CD1-CZ 3.97Å; F338-F358 AromaticContact CD2-CE2 3.73Å; F338-F358 HydrophobicContact CD2-CE2 3.73Å; F338-F358 AromaticContact CD2-CZ 3.98Å; F338-F358 HydrophobicContact CD2-CZ 3.98Å; F338-F358 AromaticContact CE1-CE2 3.98Å; F338-F358 HydrophobicContact CE1-CE2 3.98Å; F338-F358 AromaticContact CE1-CZ 3.73Å; F338-F358 HydrophobicContact CE1-CZ 3.73Å; F338-F358 HydrophobicContact CE2-CE2 4.01Å; F338-F358 AromaticContact CE2-CZ 3.75Å; F338-F358 HydrophobicContact CE2-CZ 3.75Å; F338-F358 AromaticContact CG-CE2 3.57Å; F338-F358 HydrophobicContact CG-CE2 3.57Å; F338-F358 HydrophobicContact CG-CZ 4.08Å; F338-F358 HydrophobicContact CZ-CE2 4.12Å; F338-F358 AromaticContact CZ-CZ 3.61Å; F338-F358 HydrophobicContact CZ-CZ 3.61Å; S343-F358 CarbonylContact O-C 3.58Å; S343-F358 WeakPolarHBondContact O-CA 3.48Å; S343-F358 VanDerWaalsContact O-CB 3.22Å; S343-F358 WeakPolarHBondContact O-CB 3.18Å; I344-F358 HydrophobicContact CB-CB 4.05Å; I344-F358 HydrophobicContact CD1-CB 4.47Å; I344-F358 HydrophobicContact CG1-CB 4.05Å; V356-F358 HydrophobicContact CG1-CD1 4.3Å; F358-W400 HydrophobicContact CD1-CB 4.26Å; F358-W400 HydrophobicContact CD2-CB 4.12Å; F358-W400 HydrophobicContact CD2-CD2 4.03Å; F358-W400 AromaticContact CD2-CE3 3.52Å; F358-W400 HydrophobicContact CD2-CE3 3.52Å; F358-W400 HydrophobicContact CD2-CG 4.3Å; F358-W400 HydrophobicContact CD2-CZ3 4.24Å; F358-W400 HydrophobicContact CE1-CB 3.82Å; F358-W400 HydrophobicContact CE2-CB 3.64Å; F358-W400 AromaticContact CE2-CD2 3.5Å; F358-W400 HydrophobicContact CE2-CD2 3.5Å; F358-W400 VanDerWaalsContact CE2-CD2 3.5Å; F358-W400 AromaticContact CE2-CE3 3.47Å; F358-W400 HydrophobicContact CE2-CE3 3.47Å; F358-W400 VanDerWaalsContact CE2-CE3 3.47Å; F358-W400 AromaticContact CE2-CG 3.58Å; F358-W400 HydrophobicContact CE2-CG 3.58Å; F358-W400 HydrophobicContact CE2-CZ3 4.28Å; F358-W400 HydrophobicContact CG-CB 4.4Å; F358-W400 HydrophobicContact CZ-CB 3.49Å; F358-W400 VanDerWaalsContact CZ-CB 3.49Å; F358-W400 HydrophobicContact CZ-CD2 4.15Å; F358-W400 HydrophobicContact CZ-CE3 4.47Å; F358-W400 AromaticContact CZ-CG 3.72Å; F358-W400 HydrophobicContact CZ-CG 3.72Å; F358-W400 PolarHBondContact N-O 3.23Å; F358-W400 PolarHBondContact O-N 2.74Å; F358-Y402 AromaticContact CE1-CD2 3.69Å; F358-Y402 HydrophobicContact CE1-CD2 3.69Å; F358-Y402 AromaticContact CE1-CE2 3.79Å; F358-Y402 HydrophobicContact CE1-CE2 3.79Å; F358-Y402 HydrophobicContact CZ-CD2 4.12Å; F358-Y402 AromaticContact CZ-CE2 3.72Å; F358-Y402 HydrophobicContact CZ-CE2 3.72Å
359	C	96.6	Very high	74.3	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	160.4	-179.4	62.9	0	0	0	0	113.2	V65 I68 V341 H342 S343 H398 L399	V65-C359 HydrophobicContact CB-CB 4.47Å; V65-C359 HydrophobicContact CG1-CB 3.76Å; I68-C359 HydrophobicContact CG2-CB 4.36Å; V341-C359 WeakPolarHBondContact CA-O 3.2Å; H342-C359 PolarHBondContact N-O 3.22Å; S343-C359 PolarHBondContact O-N 2.78Å; C359-H398 WeakPolarHBondContact CA-O 3.42Å; C359-H398 VanDerWaalsContact CB-O 3.28Å; C359-H398 WeakPolarHBondContact CB-O 3.35Å; C359-L399 HydrophobicContact CB-CD2 3.63Å
360	N	94.1	Very high	71.6	Confident	8 Å²	8	53.7 Å²	53.7	4%	0.043	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	167.7	167.4	76.1	9.8	0	0	0	110.1	V65 F338 D340 N362 R397 H398 W400	V65-N360 WeakPolarHBondContact CB-O 3.43Å; F338-N360 WeakPolarHBondContact O-CB 3.45Å; D340-N360 CarbonylContact O-C 3.59Å; D340-N360 WeakPolarHBondContact O-CA 3.29Å; D340-N360 WeakPolarHBondContact O-CB 3.46Å; N360-N362 VanDerWaalsContact C-N 3.33Å; N360-N362 PolarHBondContact OD1-N 3.34Å; N360-R397 PolarHBondContact ND2-O 2.82Å; N360-H398 PolarHBondContact N-O 3.36Å; N360-H398 VanDerWaalsContact N-O 3.09Å; N360-H398 WeakPolarHBondContact OD1-CA 3.32Å; N360-W400 HydrophobicContact CB-CH2 3.9Å; N360-W400 HydrophobicContact CB-CZ3 3.88Å; N360-W400 WeakPolarHBondContact ND2-CH2 3.43Å
361	T	88.3	Confident	69	Low	4 Å²	4	56.8 Å²	56.8	3%	0.025	31%	0.31	C	S	.	.			trans	-82.6	-5.8	-177.8	67.5	0	0	0	0	114.3	V64 D340 H342 L363	V64-T361 VanDerWaalsContact CA-O 3.28Å; V64-T361 WeakPolarHBondContact CA-O 3.37Å; V64-T361 WeakPolarHBondContact CG1-O 3.35Å; D340-T361 PolarHBondContact O-N 2.78Å; D340-T361 WeakPolarHBondContact OD2-CG2 3.42Å; D340-T361 PolarHBondContact OD2-OG1 2.91Å; H342-T361 HydrophobicContact CB-CG2 3.66Å; T361-L363 PolarHBondContact O-N 3.15Å; T361-L363 WeakPolarHBondContact OG1-CB 3.45Å; T361-L363 PolarHBondContact OG1-N 2.92Å
362	N	76.6	Confident	66.6	Low	64 Å²	64	52.6 Å²	52.6	34%	0.342	30%	0.304	S	S	.	.	S	Bend	trans	58.6	16.7	-168.2	-167	24	0	0	0	114.2	N360 H398	N360-N362 VanDerWaalsContact C-N 3.33Å; N360-N362 PolarHBondContact OD1-N 3.34Å; N362-H398 WeakPolarHBondContact CB-NE2 3.25Å; N362-H398 PolarHBondContact ND2-CE1 2.86Å; N362-H398 VanDerWaalsContact ND2-CE1 3.33Å; N362-H398 PolarHBondContact ND2-NE2 2.73Å; N362-H398 PolarHBondContact OD1-NE2 3.21Å
363	L	70.1	Confident	64.2	Low	28 Å²	28	59.1 Å²	59.1	15%	0.147	34%	0.336	C	S	.	.			trans	-91.1	122.6	169.7	-66.5	172.8	0	0	0	108.1	V64 V87 T361 S365	V64-L363 HydrophobicContact CG2-CD2 4.15Å; V64-L363 HydrophobicContact CG2-CG 4.39Å; V87-L363 HydrophobicContact CG1-CD2 3.99Å; V87-L363 HydrophobicContact CG2-CD2 4.26Å; T361-L363 PolarHBondContact O-N 3.15Å; T361-L363 WeakPolarHBondContact OG1-CB 3.45Å; T361-L363 PolarHBondContact OG1-N 2.92Å; L363-S365 PolarHBondContact O-N 3.41Å; L363-S365 VanDerWaalsContact O-N 3.1Å
364	P	53.9	Low	61.6	Low	75 Å²	75	63.9 Å²	63.9	49%	0.487	36%	0.36	S	S	.	.			trans	-51.7	123.8	172	-23.5	28.9	0	0	0	109.3	Q366 L367	P364-Q366 PolarHBondContact O-N 3.04Å; P364-L367 HydrophobicContact CG-CD1 4.32Å; P364-L367 PolarHBondContact O-N 3.43Å
365	S	49.7	Very low	58.6	Low	63 Å²	63	73.2 Å²	73.2	44%	0.441	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-48.8	-27	177.8	42.6	0	0	0	0	113.5	D339 L363 L367 N368	D339-S365 VanDerWaalsContact OD1-CB 3.23Å; D339-S365 WeakPolarHBondContact OD1-CB 3.38Å; D339-S365 PolarHBondContact OD1-OG 3.26Å; L363-S365 PolarHBondContact O-N 3.41Å; L363-S365 VanDerWaalsContact O-N 3.1Å; S365-L367 VanDerWaalsContact C-N 3.34Å; S365-L367 PolarHBondContact O-N 2.82Å; S365-N368 PolarHBondContact O-N 2.9Å
366	Q	37	Very low	55.5	Low	143 Å²	143	79.1 Å²	79.1	67%	0.668	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-67.7	-21.8	176.7	-63.5	-159.8	-1.5	0	0	115.5	P364 N368 Q369	P364-Q366 PolarHBondContact O-N 3.04Å; Q366-N368 PolarHBondContact O-N 3.07Å; Q366-Q369 PolarHBondContact O-N 2.9Å
367	L	35.1	Very low	52.3	Low	127 Å²	127	87.5 Å²	87.5	67%	0.665	48%	0.479	S	S	*	.	G	3₁₀ helix	trans	-70.7	-15.8	175.4	-74.9	170.6	0	0	0	112.7	P364 S365 Q369	P364-L367 HydrophobicContact CG-CD1 4.32Å; P364-L367 PolarHBondContact O-N 3.43Å; S365-L367 VanDerWaalsContact C-N 3.34Å; S365-L367 PolarHBondContact O-N 2.82Å; L367-Q369 VanDerWaalsContact C-N 3.34Å
368	N	33.4	Very low	49	Very low	109 Å²	109	99.5 Å²	99.5	58%	0.583	52%	0.524	S	S	*	.	G	3₁₀ helix	trans	-88.4	4	173.9	-74.9	-30.1	0	0	0	113.5	S365 Q366 P370	S365-N368 PolarHBondContact O-N 2.9Å; Q366-N368 PolarHBondContact O-N 3.07Å; N368-P370 VanDerWaalsContact O-CD 3.31Å; N368-P370 WeakPolarHBondContact O-CD 3.45Å
369	Q	29.2	Very low	45.5	Very low	96 Å²	96	106 Å²	106	45%	0.449	56%	0.564	S	S	.	*	S	Bend	trans	-77.1	117.4	171.1	-66.7	-173.1	2.6	0	0	108.7	Q366 L367 V371	Q366-Q369 PolarHBondContact O-N 2.9Å; L367-Q369 VanDerWaalsContact C-N 3.34Å; Q369-V371 PolarHBondContact O-N 3.46Å
370	P	29	Very low	42.3	Very low	111 Å²	111	115.1 Å²	115.1	72%	0.721	60%	0.603	S	S	*	*			trans	-58.1	119.3	165.5	23.9	-29.5	0	0	0	105.7	N368 S372	N368-P370 VanDerWaalsContact O-CD 3.31Å; N368-P370 WeakPolarHBondContact O-CD 3.45Å; P370-S372 PolarHBondContact O-N 3.01Å
371	V	28.1	Very low	39.1	Very low	129 Å²	129	120.1 Å²	120.1	78%	0.782	64%	0.639	S	S	*	*			trans	-52.2	93.8	-178.1	179	0	0	0	0	107.8	Q369 L373	Q369-V371 PolarHBondContact O-N 3.46Å; V371-L373 PolarHBondContact O-N 2.91Å
372	S	29.7	Very low	36.1	Very low	100 Å²	100	127.3 Å²	127.3	70%	0.699	68%	0.676	S	S	*	*			trans	-71.2	105.5	169.2	60	0	0	0	0	104.4	P370 N374	P370-S372 PolarHBondContact O-N 3.01Å; S372-N374 PolarHBondContact O-N 2.69Å
373	L	32.5	Very low	33.7	Very low	148 Å²	148	129.7 Å²	129.7	78%	0.775	70%	0.698	S	S	*	*	S	Bend	trans	-51.4	127.9	171.6	-91.6	95.3	0	0	0	107.6	V371	V371-L373 PolarHBondContact O-N 2.91Å
374	N	32.2	Very low	31.7	Very low	136 Å²	136	136.3 Å²	136.3	73%	0.727	73%	0.725	S	S	*	*			trans	91.6	90.8	175.4	-47.7	-35.4	0	0	0	114.8	S372	S372-N374 PolarHBondContact O-N 2.69Å
375	Q	29.9	Very low	30.4	Very low	196 Å²	196	141.7 Å²	141.7	92%	0.916	74%	0.737	S	S	*	*				-158.1	113.4	125	-108.2	161.9	62.9	0	0	112.5
376	T	28	Very low	29.3	Very low	125 Å²	125	147.8 Å²	147.8	77%	0.767	76%	0.759	S	S	*	*			trans	-64.8	130.6	171.3	-7.7	0	0	0	0	110.5
377	Q	29.8	Very low	28.9	Very low	176 Å²	176	149.7 Å²	149.7	82%	0.822	77%	0.767	S	S	*	*			trans	43.9	99.3	150.8	-65.6	178.7	-6.8	0	0	117.7
378	R	27.7	Very low	28.9	Very low	252 Å²	252	151 Å²	151	95%	0.951	78%	0.775	S	S	*	*			trans	-119	114.2	148.3	-86.6	-173.6	177.9	-176.7	0.5	110.9
379	T	25.5	Very low	28.8	Very low	136 Å²	136	151.6 Å²	151.6	83%	0.834	77%	0.773	S	S	*	*			trans	-67.9	142.7	178.9	37.7	0	0	0	0	113.2
380	K	28.7	Very low	29.4	Very low	191 Å²	191	151.4 Å²	151.4	83%	0.83	78%	0.775	S	S	*	*			trans	-45.1	131.8	171.4	-64.9	179	174	-172.6	0	113.2
381	S	25.9	Very low	30	Very low	113 Å²	113	154.1 Å²	154.1	79%	0.79	78%	0.778	S	S	*	*			trans	-115.5	108.4	154.8	58.6	0	0	0	0	108.5
382	I	26.1	Very low	30.9	Very low	155 Å²	155	154.7 Å²	154.7	80%	0.795	77%	0.772	S	S	*	*			trans	-92.7	107.8	176.4	-64.8	166.2	0	0	0	106.8
383	S	26.4	Very low	31.7	Very low	115 Å²	115	154.9 Å²	154.9	80%	0.804	76%	0.762	S	S	*	*			trans	-106.1	109.4	171.3	53.5	0	0	0	0	110.7
384	K	29.1	Very low	32.4	Very low	166 Å²	166	150.6 Å²	150.6	72%	0.722	74%	0.738	S	S	*	*			trans	-16.1	138.7	158.7	-125.6	172.2	171.4	-174.8	0	118.7
385	Y	25	Very low	33.4	Very low	189 Å²	189	150.3 Å²	150.3	74%	0.741	74%	0.736	S	S	*	*			trans	81.4	86.8	161.8	-62.6	-77.7	0	0	0	118.2
386	Q	27.8	Very low	35.2	Very low	191 Å²	191	145.3 Å²	145.3	89%	0.893	71%	0.712	S	S	*	*			trans	-150.2	125.3	136.7	-107.7	169.8	-18.1	0	0	107.1
387	E	28.6	Very low	37.7	Very low	182 Å²	182	140.8 Å²	140.8	85%	0.85	68%	0.681	S	S	*	*			trans	-68.9	128.1	-173.8	-68.8	168.6	152.7	0	0	110.8	F389	E387-F389 PolarHBondContact O-N 2.87Å
388	D	33.8	Very low	40.5	Very low	154 Å²	154	132.8 Å²	132.8	82%	0.824	64%	0.644	S	S	*	*	S	Bend	trans	43.6	37.3	145.9	-61.9	-12.2	0	0	0	120.9
389	F	31.8	Very low	43.7	Very low	122 Å²	122	120.8 Å²	120.8	54%	0.535	60%	0.598	S	S	.	*			trans	-107.9	107.4	141.6	-93.5	-88.5	0	0	0	108	W334 E387 E391	W334-F389 HydrophobicContact CH2-CD1 4.39Å; W334-F389 HydrophobicContact CZ2-CB 4.31Å; W334-F389 HydrophobicContact CZ2-CD1 4.37Å; W334-F389 HydrophobicContact CZ2-CG 4.2Å; E387-F389 PolarHBondContact O-N 2.87Å; F389-E391 PolarHBondContact O-N 2.95Å
390	N	41	Very low	47	Very low	93 Å²	93	114.6 Å²	114.6	50%	0.497	56%	0.56	S	S	.	*			trans	-60.4	112.8	178.1	-92.4	-22.1	0	0	0	108.2	E392 E393	N390-E392 HydrophobicContact CB-CB 4.24Å; N390-E392 PolarHBondContact O-N 3.3Å; N390-E393 HydrophobicContact CB-CG 4.1Å; N390-E393 PolarHBondContact O-N 3.37Å
391	E	42.8	Very low	50.2	Low	168 Å²	168	105.6 Å²	105.6	79%	0.785	52%	0.521	S	S	*	.	H	α-helix	trans	-48.8	-28	165.1	-70.6	-179.7	156.4	0	0	111	F389 E393 Q394 L395	F389-E391 PolarHBondContact O-N 2.95Å; E391-E393 VanDerWaalsContact C-N 3.3Å; E391-E393 PolarHBondContact O-N 3.46Å; E391-Q394 PolarHBondContact O-N 2.73Å; E391-L395 WeakPolarHBondContact O-CD1 3.21Å; E391-L395 WeakPolarHBondContact O-CG 3.38Å; E391-L395 PolarHBondContact O-N 3.15Å; E391-L395 VanDerWaalsContact O-N 3.09Å
392	E	46.9	Very low	53.5	Low	140 Å²	140	100.8 Å²	100.8	65%	0.654	49%	0.485	S	S	*	.	H	α-helix	trans	-57.3	-34.3	171.2	-68.9	-173.9	165.7	0	0	113.9	N390 L395 E396	N390-E392 HydrophobicContact CB-CB 4.24Å; N390-E392 PolarHBondContact O-N 3.3Å; E392-L395 PolarHBondContact O-N 3.24Å; E392-E396 PolarHBondContact O-N 2.78Å
393	E	46.1	Very low	56.7	Low	105 Å²	105	94.7 Å²	94.7	49%	0.491	45%	0.453	S	S	.	.	H	α-helix	trans	-75.2	-35.8	179.6	-71.7	-171.6	162.2	0	0	112.7	N390 E391 L395 E396 R397	N390-E393 HydrophobicContact CB-CG 4.1Å; N390-E393 PolarHBondContact O-N 3.37Å; E391-E393 VanDerWaalsContact C-N 3.3Å; E391-E393 PolarHBondContact O-N 3.46Å; E393-L395 VanDerWaalsContact C-N 3.33Å; E393-E396 PolarHBondContact O-N 3.33Å; E393-R397 PolarHBondContact O-N 3.46Å
394	Q	47.4	Very low	59.8	Low	58 Å²	58	89.2 Å²	89.2	27%	0.271	42%	0.415	S	S	.	.	H	α-helix	trans	-68.3	-35.8	172.6	-73.3	-66.3	-29.1	0	0	111.3	W334 E391 E396 R397	W334-Q394 HydrophobicContact CZ3-CG 4.11Å; W334-Q394 VanDerWaalsContact CZ3-NE2 3.32Å; E391-Q394 PolarHBondContact O-N 2.73Å; Q394-E396 PolarHBondContact O-N 2.78Å; Q394-E396 VanDerWaalsContact O-N 3.15Å; Q394-R397 PolarHBondContact O-N 2.72Å
395	L	53.3	Low	62.6	Low	130 Å²	130	86.4 Å²	86.4	68%	0.681	40%	0.4	S	S	*	.	H	α-helix	trans	-61.2	-20	175	-75.6	163.4	0	0	0	113.1	E391 E392 E393	E391-L395 WeakPolarHBondContact O-CD1 3.21Å; E391-L395 WeakPolarHBondContact O-CG 3.38Å; E391-L395 PolarHBondContact O-N 3.15Å; E391-L395 VanDerWaalsContact O-N 3.09Å; E392-L395 PolarHBondContact O-N 3.24Å; E393-L395 VanDerWaalsContact C-N 3.33Å
396	E	67.7	Low	65.4	Low	90 Å²	90	78.6 Å²	78.6	42%	0.421	37%	0.37	S	S	.	.	H	α-helix	trans	-103	-7.9	178.5	-68.7	-174.8	161.9	0	0	114.1	K56 E392 E393 Q394 H398	K56-E396 WeakPolarHBondContact CE-OE2 3.27Å; K56-E396 IonicContact NZ-OE2 2.8Å; K56-E396 PolarHBondContact NZ-OE2 3.14Å; E392-E396 PolarHBondContact O-N 2.78Å; E393-E396 PolarHBondContact O-N 3.33Å; Q394-E396 PolarHBondContact O-N 2.78Å; Q394-E396 VanDerWaalsContact O-N 3.15Å; E396-H398 PolarHBondContact O-CD2 3.48Å; E396-H398 PolarHBondContact O-CE1 3.01Å; E396-H398 VanDerWaalsContact O-CE1 3.25Å; E396-H398 PolarHBondContact O-NE2 2.92Å
397	R	81	Confident	67.5	Low	31 Å²	31	75.6 Å²	75.6	12%	0.117	36%	0.36	C	S	.	.			trans	-78.2	128.7	-177.1	-179.4	178.1	-77.5	-100.6	3.2	111.1	E51 W53 N360 E393 Q394 L399 W400	E51-R397 PolarHBondContact O-NH2 2.92Å; W53-R397 PolarHBondContact O-NH1 2.85Å; N360-R397 PolarHBondContact ND2-O 2.82Å; E393-R397 PolarHBondContact O-N 3.46Å; Q394-R397 PolarHBondContact O-N 2.72Å; R397-L399 WeakPolarHBondContact CG-O 3.5Å; R397-L399 PolarHBondContact NH1-O 2.91Å; R397-W400 VanDerWaalsContact CD-NE1 3.33Å; R397-W400 HydrophobicContact CG-CZ2 4.18Å
398	H	87.6	Confident	68.8	Low	7 Å²	7	71.7 Å²	71.7	3%	0.032	34%	0.34	C	S	.	.			trans	-110.5	-21	178.4	-51.2	137.6	0	0	0	114.2	V65 C359 N360 N362 E396 W400	V65-H398 HydrophobicContact CG2-CB 4.09Å; C359-H398 WeakPolarHBondContact CA-O 3.42Å; C359-H398 VanDerWaalsContact CB-O 3.28Å; C359-H398 WeakPolarHBondContact CB-O 3.35Å; N360-H398 PolarHBondContact N-O 3.36Å; N360-H398 VanDerWaalsContact N-O 3.09Å; N360-H398 WeakPolarHBondContact OD1-CA 3.32Å; N362-H398 WeakPolarHBondContact CB-NE2 3.25Å; N362-H398 PolarHBondContact ND2-CE1 2.86Å; N362-H398 VanDerWaalsContact ND2-CE1 3.33Å; N362-H398 PolarHBondContact ND2-NE2 2.73Å; N362-H398 PolarHBondContact OD1-NE2 3.21Å; E396-H398 PolarHBondContact O-CD2 3.48Å; E396-H398 PolarHBondContact O-CE1 3.01Å; E396-H398 VanDerWaalsContact O-CE1 3.25Å; E396-H398 PolarHBondContact O-NE2 2.92Å; H398-W400 WeakPolarHBondContact O-CZ3 3.5Å
399	L	95.1	Very high	69.5	Low	0 Å²	0	73.2 Å²	73.2	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	140.1	-171.9	-48	-178.4	0	0	0	111	W53 P54 L62 V65 I68 V80 I115 C359 R397	W53-L399 HydrophobicContact CH2-CB 4.01Å; W53-L399 HydrophobicContact CH2-CD1 3.95Å; W53-L399 HydrophobicContact CZ3-CB 3.64Å; W53-L399 HydrophobicContact CZ3-CD1 4.37Å; P54-L399 HydrophobicContact CG-CB 4.43Å; P54-L399 HydrophobicContact CG-CD1 4.14Å; L62-L399 HydrophobicContact CD1-CD1 4.02Å; L62-L399 HydrophobicContact CD1-CD2 4.47Å; L62-L399 HydrophobicContact CD1-CG 4.26Å; V65-L399 HydrophobicContact CG1-CD2 4.22Å; I68-L399 HydrophobicContact CD1-CD1 4.43Å; I68-L399 HydrophobicContact CD1-CD2 4.06Å; V80-L399 HydrophobicContact CG1-CD2 4.21Å; V80-L399 HydrophobicContact CG2-CD1 3.77Å; V80-L399 HydrophobicContact CG2-CD2 4.25Å; I115-L399 HydrophobicContact CD1-CD1 3.8Å; C359-L399 HydrophobicContact CB-CD2 3.63Å; R397-L399 WeakPolarHBondContact CG-O 3.5Å; R397-L399 PolarHBondContact NH1-O 2.91Å
400	W	95.4	Very high	70.1	Confident	6 Å²	6	74.1 Å²	74.1	2%	0.023	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	144.1	173.2	-63.6	-96.8	0	0	0	110.4	F49 F338 L357 F358 N360 R397 H398 Y402	F49-W400 AromaticContact CE2-CD1 3.88Å; F338-W400 HydrophobicContact CB-CH2 3.97Å; F338-W400 HydrophobicContact CB-CZ2 3.98Å; F338-W400 HydrophobicContact CB-CZ3 4.36Å; F338-W400 AromaticContact CD1-CD1 3.93Å; F338-W400 HydrophobicContact CD1-CD2 4.04Å; F338-W400 AromaticContact CD1-CE2 3.57Å; F338-W400 HydrophobicContact CD1-CG 4.27Å; F338-W400 AromaticContact CD1-CZ2 3.94Å; F338-W400 HydrophobicContact CD1-CZ2 3.94Å; F338-W400 AromaticContact CD1-NE1 3.49Å; F338-W400 AromaticContact CE1-CD1 3.87Å; F338-W400 HydrophobicContact CE1-CG 4.38Å; F338-W400 AromaticContact CE1-NE1 3.82Å; F338-W400 HydrophobicContact CG-CZ2 4.46Å; F338-W400 WeakPolarHBondContact O-CH2 3.47Å; L357-W400 VanDerWaalsContact CA-O 3.25Å; L357-W400 WeakPolarHBondContact CA-O 3.36Å; F358-W400 HydrophobicContact CD1-CB 4.26Å; F358-W400 HydrophobicContact CD2-CB 4.12Å; F358-W400 HydrophobicContact CD2-CD2 4.03Å; F358-W400 AromaticContact CD2-CE3 3.52Å; F358-W400 HydrophobicContact CD2-CE3 3.52Å; F358-W400 HydrophobicContact CD2-CG 4.3Å; F358-W400 HydrophobicContact CD2-CZ3 4.24Å; F358-W400 HydrophobicContact CE1-CB 3.82Å; F358-W400 HydrophobicContact CE2-CB 3.64Å; F358-W400 AromaticContact CE2-CD2 3.5Å; F358-W400 HydrophobicContact CE2-CD2 3.5Å; F358-W400 VanDerWaalsContact CE2-CD2 3.5Å; F358-W400 AromaticContact CE2-CE3 3.47Å; F358-W400 HydrophobicContact CE2-CE3 3.47Å; F358-W400 VanDerWaalsContact CE2-CE3 3.47Å; F358-W400 AromaticContact CE2-CG 3.58Å; F358-W400 HydrophobicContact CE2-CG 3.58Å; F358-W400 HydrophobicContact CE2-CZ3 4.28Å; F358-W400 HydrophobicContact CG-CB 4.4Å; F358-W400 HydrophobicContact CZ-CB 3.49Å; F358-W400 VanDerWaalsContact CZ-CB 3.49Å; F358-W400 HydrophobicContact CZ-CD2 4.15Å; F358-W400 HydrophobicContact CZ-CE3 4.47Å; F358-W400 AromaticContact CZ-CG 3.72Å; F358-W400 HydrophobicContact CZ-CG 3.72Å; F358-W400 PolarHBondContact N-O 3.23Å; F358-W400 PolarHBondContact O-N 2.74Å; N360-W400 HydrophobicContact CB-CH2 3.9Å; N360-W400 HydrophobicContact CB-CZ3 3.88Å; N360-W400 WeakPolarHBondContact ND2-CH2 3.43Å; R397-W400 VanDerWaalsContact CD-NE1 3.33Å; R397-W400 HydrophobicContact CG-CZ2 4.18Å; H398-W400 WeakPolarHBondContact O-CZ3 3.5Å; W400-Y402 HydrophobicContact CB-CD2 4.25Å; W400-Y402 HydrophobicContact CB-CE2 3.97Å; W400-Y402 HydrophobicContact CG-CE2 4.43Å
401	L	96	Very high	70	Confident	2 Å²	2	77.9 Å²	77.9	1%	0.01	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	115.5	174.7	168.1	58.9	0	0	0	108.3	N50 W53 A75 C355 L357	N50-L401 HydrophobicContact CB-CB 4.33Å; N50-L401 HydrophobicContact CB-CD2 4.15Å; N50-L401 HydrophobicContact CB-CG 4.11Å; N50-L401 PolarHBondContact N-O 3.37Å; W53-L401 HydrophobicContact CB-CD2 4.4Å; W53-L401 HydrophobicContact CD2-CB 4Å; W53-L401 HydrophobicContact CD2-CD2 3.88Å; W53-L401 HydrophobicContact CE3-CB 3.43Å; W53-L401 VanDerWaalsContact CE3-CB 3.43Å; W53-L401 HydrophobicContact CE3-CD2 4.2Å; W53-L401 HydrophobicContact CE3-CG 4.47Å; W53-L401 HydrophobicContact CG-CD2 3.95Å; W53-L401 HydrophobicContact CZ3-CB 3.79Å; A75-L401 HydrophobicContact CB-CD1 3.72Å; A75-L401 HydrophobicContact CB-CD2 3.91Å; A75-L401 HydrophobicContact CB-CG 4.49Å; C355-L401 HydrophobicContact CB-CD1 3.63Å; L357-L401 HydrophobicContact CD1-CD1 4.44Å; L357-L401 HydrophobicContact CD2-CB 4.16Å; L357-L401 HydrophobicContact CD2-CD1 3.83Å; L357-L401 HydrophobicContact CD2-CG 4.42Å; L357-L401 HydrophobicContact CG-CD1 3.78Å
402	Y	95.3	Very high	69.6	Low	12 Å²	12	80.3 Å²	80.3	5%	0.047	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	137.6	174	-74.5	-95.6	0	0	0	109.9	I47 D48 F49 I330 F338 C355 V356 F358 W400	I47-Y402 HydrophobicContact CG2-CD1 3.65Å; I47-Y402 HydrophobicContact CG2-CE1 4.38Å; I47-Y402 HydrophobicContact CG2-CG 4.38Å; D48-Y402 CarbonylContact O-C 3.48Å; D48-Y402 VanDerWaalsContact O-CA 3.27Å; D48-Y402 WeakPolarHBondContact O-CA 3.09Å; F49-Y402 HydrophobicContact CB-CD1 3.89Å; F49-Y402 HydrophobicContact CB-CE1 3.54Å; F49-Y402 HydrophobicContact CD2-CD1 4.35Å; F49-Y402 HydrophobicContact CD2-CD2 4.23Å; F49-Y402 HydrophobicContact CD2-CE1 4.02Å; F49-Y402 AromaticContact CD2-CE2 3.85Å; F49-Y402 HydrophobicContact CD2-CE2 3.85Å; F49-Y402 HydrophobicContact CD2-CG 4.49Å; F49-Y402 AromaticContact CD2-CZ 3.74Å; F49-Y402 HydrophobicContact CE2-CE2 4.35Å; F49-Y402 AromaticContact CG-CE1 3.98Å; F49-Y402 HydrophobicContact CG-CE1 3.98Å; F49-Y402 AromaticContact CG-CZ 3.99Å; I330-Y402 HydrophobicContact CD1-CG 4.4Å; I330-Y402 HydrophobicContact CG2-CD1 3.67Å; I330-Y402 HydrophobicContact CG2-CD2 3.83Å; I330-Y402 HydrophobicContact CG2-CE1 3.47Å; I330-Y402 VanDerWaalsContact CG2-CE1 3.47Å; I330-Y402 HydrophobicContact CG2-CE2 3.67Å; I330-Y402 HydrophobicContact CG2-CG 3.81Å; I330-Y402 VanDerWaalsContact CG2-CZ 3.47Å; F338-Y402 HydrophobicContact CE1-CE2 4.39Å; F338-Y402 HydrophobicContact CZ-CE2 4.35Å; C355-Y402 CarbonylContact C-O 3.44Å; C355-Y402 WeakPolarHBondContact CA-O 3.08Å; C355-Y402 WeakPolarHBondContact CB-O 3.45Å; V356-Y402 PolarHBondContact N-O 2.74Å; V356-Y402 PolarHBondContact O-N 2.8Å; F358-Y402 AromaticContact CE1-CD2 3.69Å; F358-Y402 HydrophobicContact CE1-CD2 3.69Å; F358-Y402 AromaticContact CE1-CE2 3.79Å; F358-Y402 HydrophobicContact CE1-CE2 3.79Å; F358-Y402 HydrophobicContact CZ-CD2 4.12Å; F358-Y402 AromaticContact CZ-CE2 3.72Å; F358-Y402 HydrophobicContact CZ-CE2 3.72Å; W400-Y402 HydrophobicContact CB-CD2 4.25Å; W400-Y402 HydrophobicContact CB-CE2 3.97Å; W400-Y402 HydrophobicContact CG-CE2 4.43Å
403	H	92.5	Very high	70.7	Confident	27 Å²	27	77.3 Å²	77.3	13%	0.125	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	134.6	171.3	-63.8	87.2	0	0	0	109.6	I47 D48 T354	I47-H403 WeakPolarHBondContact CA-O 3.38Å; D48-H403 HydrophobicContact CB-CB 4.43Å; D48-H403 PolarHBondContact N-O 3.5Å; D48-H403 PolarHBondContact O-N 3.29Å; T354-H403 WeakPolarHBondContact O-CA 3.31Å
404	L	91.3	Very high	72	Confident	0 Å²	0	75.8 Å²	75.8	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	123.2	174.4	-79.7	73	0	0	0	108.5	F45 L46 I47 F302 I318 I330 T353 T354 V356 F406	F45-L404 HydrophobicContact CD2-CD2 4.13Å; F45-L404 HydrophobicContact CD2-CG 4.45Å; F45-L404 HydrophobicContact CE2-CD2 4.23Å; L46-L404 VanDerWaalsContact O-CA 3.32Å; L46-L404 WeakPolarHBondContact O-CA 3.47Å; I47-L404 HydrophobicContact CG1-CG 4.31Å; F302-L404 HydrophobicContact CE1-CD2 3.61Å; F302-L404 HydrophobicContact CZ-CD2 3.73Å; I318-L404 HydrophobicContact CD1-CD2 4.29Å; I330-L404 HydrophobicContact CD1-CD1 4.39Å; T353-L404 CarbonylContact C-O 3.45Å; T353-L404 VanDerWaalsContact CA-O 3.29Å; T353-L404 WeakPolarHBondContact CA-O 3.29Å; T354-L404 HydrophobicContact CG2-CB 3.94Å; T354-L404 PolarHBondContact N-O 3.29Å; T354-L404 PolarHBondContact O-N 3.19Å; V356-L404 HydrophobicContact CB-CD1 4.41Å; V356-L404 HydrophobicContact CG2-CD1 3.82Å; L404-F406 HydrophobicContact CB-CE2 4Å; L404-F406 HydrophobicContact CB-CZ 4.18Å; L404-F406 HydrophobicContact CD2-CZ 4.37Å
405	R	88.7	Confident	73.4	Confident	107 Å²	107	76.8 Å²	76.8	40%	0.404	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	123.7	-179.9	-59	-176.2	-160.3	-176.8	9.8	109.8	F45 L46 D48 G352 T353 F408	F45-R405 CarbonylContact C-O 3.56Å; F45-R405 WeakPolarHBondContact CA-O 3.48Å; F45-R405 VanDerWaalsContact CB-O 3.26Å; F45-R405 WeakPolarHBondContact CB-O 3.41Å; L46-R405 PolarHBondContact N-O 3.09Å; L46-R405 PolarHBondContact O-N 3.37Å; D48-R405 IonicContact OD2-CZ 3.92Å; D48-R405 IonicContact OD2-NH2 2.96Å; D48-R405 PolarHBondContact OD2-NH2 2.78Å; G352-R405 CarbonylContact O-C 3.58Å; G352-R405 WeakPolarHBondContact O-CA 3.46Å; T353-R405 HydrophobicContact CG2-CG 4.17Å; R405-F408 HydrophobicContact CB-CE1 4.37Å; R405-F408 HydrophobicContact CB-CE2 4.38Å; R405-F408 HydrophobicContact CB-CZ 3.67Å; R405-F408 WeakPolarHBondContact O-CE2 3.47Å
406	F	83.9	Confident	74.6	Confident	25 Å²	25	73.7 Å²	73.7	11%	0.11	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	152.5	-177.4	-57.8	-91.2	0	0	0	110.7	F45 T298 L300 Y349 G352 T354 L404	F45-F406 HydrophobicContact CB-CD1 3.68Å; F45-F406 HydrophobicContact CB-CE1 3.8Å; F45-F406 HydrophobicContact CB-CG 4.21Å; F45-F406 HydrophobicContact CB-CZ 4.43Å; F45-F406 HydrophobicContact CD1-CD1 4.1Å; F45-F406 AromaticContact CD1-CE1 3.69Å; F45-F406 HydrophobicContact CD1-CE1 3.69Å; F45-F406 HydrophobicContact CG-CD1 4.23Å; F45-F406 AromaticContact CG-CE1 3.89Å; F45-F406 HydrophobicContact CG-CE1 3.89Å; T298-F406 HydrophobicContact CG2-CD1 4.41Å; T298-F406 HydrophobicContact CG2-CD2 4.13Å; T298-F406 HydrophobicContact CG2-CE1 3.88Å; T298-F406 HydrophobicContact CG2-CE2 3.54Å; T298-F406 HydrophobicContact CG2-CZ 3.41Å; T298-F406 VanDerWaalsContact CG2-CZ 3.41Å; L300-F406 HydrophobicContact CD1-CE1 3.8Å; L300-F406 HydrophobicContact CD1-CZ 3.92Å; Y349-F406 HydrophobicContact CD2-CD2 4.39Å; Y349-F406 AromaticContact CE2-CD2 3.9Å; Y349-F406 HydrophobicContact CE2-CD2 3.9Å; Y349-F406 HydrophobicContact CE2-CE2 4.43Å; G352-F406 WeakPolarHBondContact O-CD2 3.14Å; G352-F406 PolarHBondContact O-N 3.26Å; T354-F406 HydrophobicContact CG2-CE2 3.79Å; T354-F406 HydrophobicContact CG2-CZ 4.34Å; L404-F406 HydrophobicContact CB-CE2 4Å; L404-F406 HydrophobicContact CB-CZ 4.18Å; L404-F406 HydrophobicContact CD2-CZ 4.37Å
407	N	70.9	Confident	75	Confident	129 Å²	129	72.7 Å²	72.7	69%	0.69	32%	0.324	S	S	*	.			trans	52.8	71.8	169.6	-63.2	-29	0	0	0	114.6	E409	N407-E409 PolarHBondContact O-N 2.97Å; N407-E409 VanDerWaalsContact O-N 3.1Å
408	F	55.7	Low	74.6	Confident	99 Å²	99	75.5 Å²	75.5	43%	0.434	34%	0.338	S	S	.	.			trans	-69.2	103.8	166.6	-59.7	-89.9	0	0	0	109.2	L46 R405 Y410	L46-F408 HydrophobicContact CB-CE2 4.05Å; L46-F408 HydrophobicContact CB-CZ 3.81Å; L46-F408 HydrophobicContact CD1-CD2 4.42Å; L46-F408 HydrophobicContact CD1-CE1 3.73Å; L46-F408 HydrophobicContact CD1-CE2 3.58Å; L46-F408 HydrophobicContact CD1-CZ 3.16Å; L46-F408 HydrophobicContact CG-CD2 4.43Å; L46-F408 HydrophobicContact CG-CE1 4.43Å; L46-F408 HydrophobicContact CG-CE2 3.41Å; L46-F408 VanDerWaalsContact CG-CE2 3.41Å; L46-F408 HydrophobicContact CG-CZ 3.41Å; L46-F408 VanDerWaalsContact CG-CZ 3.41Å; R405-F408 HydrophobicContact CB-CE1 4.37Å; R405-F408 HydrophobicContact CB-CE2 4.38Å; R405-F408 HydrophobicContact CB-CZ 3.67Å; R405-F408 WeakPolarHBondContact O-CE2 3.47Å; F408-Y410 PolarHBondContact O-N 2.69Å
409	E	48.4	Very low	73.7	Confident	186 Å²	186	80.4 Å²	80.4	87%	0.869	36%	0.36	S	S	*	.			trans	-66.7	119	148	-74.6	-172.4	170.5	0	0	105.7	N407 D411	N407-E409 PolarHBondContact O-N 2.97Å; N407-E409 VanDerWaalsContact O-N 3.1Å; E409-D411 PolarHBondContact O-N 3.41Å
410	Y	46	Very low	72	Confident	142 Å²	142	86.5 Å²	86.5	56%	0.557	39%	0.388	S	S	*	.			trans	-60.7	108.4	176.9	-74	-98.5	0	0	0	108.9	F408 Y412	F408-Y410 PolarHBondContact O-N 2.69Å; Y410-Y412 AromaticContact CD1-CD2 3.97Å; Y410-Y412 HydrophobicContact CD1-CD2 3.97Å; Y410-Y412 HydrophobicContact CD1-CE1 4.23Å; Y410-Y412 AromaticContact CD1-CE2 3.23Å; Y410-Y412 HydrophobicContact CD1-CE2 3.23Å; Y410-Y412 AromaticContact CD1-CZ 3.38Å; Y410-Y412 WeakPolarHBondContact CD1-OH 3.38Å; Y410-Y412 HydrophobicContact CD2-CE2 4.09Å; Y410-Y412 AromaticContact CE1-CE2 3.97Å; Y410-Y412 HydrophobicContact CE1-CE2 3.97Å; Y410-Y412 AromaticContact CE1-CZ 3.78Å; Y410-Y412 VanDerWaalsContact CE1-OH 3.27Å; Y410-Y412 WeakPolarHBondContact CE1-OH 2.87Å; Y410-Y412 AromaticContact CG-CD2 3.85Å; Y410-Y412 HydrophobicContact CG-CD2 3.85Å; Y410-Y412 AromaticContact CG-CE2 3.31Å; Y410-Y412 HydrophobicContact CG-CE2 3.31Å; Y410-Y412 AromaticContact CG-CZ 3.98Å; Y410-Y412 PolarHBondContact O-N 2.98Å
411	D	38.5	Very low	70.1	Confident	171 Å²	171	93.3 Å²	93.3	91%	0.914	42%	0.418	S	S	*	.			trans	-73.7	85.9	154.6	-81.3	-27	0	0	0	106.3	E409	E409-D411 PolarHBondContact O-N 3.41Å
412	Y	33.8	Very low	67.7	Low	219 Å²	219	101.5 Å²	101.5	86%	0.859	46%	0.455	S	S	*	.			trans	-77.1	0	169.4	-87.6	-72.8	0	0	0	111.5	L28 Y410	L28-Y412 HydrophobicContact CD1-CD1 4.3Å; Y410-Y412 AromaticContact CD1-CD2 3.97Å; Y410-Y412 HydrophobicContact CD1-CD2 3.97Å; Y410-Y412 HydrophobicContact CD1-CE1 4.23Å; Y410-Y412 AromaticContact CD1-CE2 3.23Å; Y410-Y412 HydrophobicContact CD1-CE2 3.23Å; Y410-Y412 AromaticContact CD1-CZ 3.38Å; Y410-Y412 WeakPolarHBondContact CD1-OH 3.38Å; Y410-Y412 HydrophobicContact CD2-CE2 4.09Å; Y410-Y412 AromaticContact CE1-CE2 3.97Å; Y410-Y412 HydrophobicContact CE1-CE2 3.97Å; Y410-Y412 AromaticContact CE1-CZ 3.78Å; Y410-Y412 VanDerWaalsContact CE1-OH 3.27Å; Y410-Y412 WeakPolarHBondContact CE1-OH 2.87Å; Y410-Y412 AromaticContact CG-CD2 3.85Å; Y410-Y412 HydrophobicContact CG-CD2 3.85Å; Y410-Y412 AromaticContact CG-CE2 3.31Å; Y410-Y412 HydrophobicContact CG-CE2 3.31Å; Y410-Y412 AromaticContact CG-CZ 3.98Å; Y410-Y412 PolarHBondContact O-N 2.98Å

Retrieved 412 of 412 residues in 88.2 ms (Link to these results)

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